diff --git a/docs/examples/v5-icl-repository-DOI-crawl/10.14469_hpc_10386/IFD.findingaid.json b/docs/examples/v5-icl-repository-DOI-crawl/10.14469_hpc_10386/IFD.findingaid.json index b0ec189..173a58c 100644 --- a/docs/examples/v5-icl-repository-DOI-crawl/10.14469_hpc_10386/IFD.findingaid.json +++ b/docs/examples/v5-icl-repository-DOI-crawl/10.14469_hpc_10386/IFD.findingaid.json @@ -2,7 +2,7 @@ "ifdTypeExtends":"org.iupac.fairdata.core.IFDFindingAid", "id":"10.14469_hpc_10386", "version":"IFD 0.0.5-alpha+2024.11.04;FAIRSpec 0.0.5-alpha+2024.11.04", -"created":"2024-11-21T16:24Z", +"created":"2024-11-22T03:50Z", "createdBy":"https://github.com/IUPAC/IUPAC-FAIRSpec/blob/main/src/main/java/com/integratedgraphics/extractor/DOICrawler.java DoiCrawler 0.0.5-alpha+2024.11.04", "contents":{"collections":[{"count":68, "id":"structures", @@ -12334,7 +12334,6 @@ "doi":"https://doi.org/10.14469/hpc/11798", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11798", -"localName":"10.14469_hpc_11798.xml", "attributes":{"identifier":"10.14469/HPC/11798", "identifiertype":"DOI", "resourcetype":"Results", @@ -12347,7 +12346,6 @@ "doi":"https://doi.org/10.14469/hpc/11787", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11787", -"localName":"10.14469_hpc_11787.xml", "attributes":{"identifier":"10.14469/HPC/11787", "identifiertype":"DOI", "resourcetype":"Results", @@ -12360,7 +12358,6 @@ "doi":"https://doi.org/10.14469/hpc/11784", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11784", -"localName":"10.14469_hpc_11784.xml", "attributes":{"IFD_property_dataobject_fairspec_nmr_expt_name":"1D", "IFD_property_dataobject_fairspec_nmr_expt_nucl1":"1H", "IFD_property_dataobject_fairspec_nmr_expt_solvent":"CDCl3", @@ -12376,7 +12373,6 @@ "doi":"https://doi.org/10.14469/hpc/11828", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11828", -"localName":"10.14469_hpc_11828.xml", "attributes":{"identifier":"10.14469/HPC/11828", "identifiertype":"DOI", "resourcetype":"Results", @@ -12389,7 +12385,6 @@ "doi":"https://doi.org/10.14469/hpc/11829", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11829", -"localName":"10.14469_hpc_11829.xml", "attributes":{"identifier":"10.14469/HPC/11829", "identifiertype":"DOI", "resourcetype":"Results", @@ -12402,7 +12397,6 @@ "doi":"https://doi.org/10.14469/hpc/11830", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11830", -"localName":"10.14469_hpc_11830.xml", "attributes":{"identifier":"10.14469/HPC/11830", "identifiertype":"DOI", "resourcetype":"Results", @@ -12415,7 +12409,6 @@ "doi":"https://doi.org/10.14469/hpc/11562", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11562", -"localName":"10.14469_hpc_11562.xml", "attributes":{"identifier":"10.14469/HPC/11562", "identifiertype":"DOI", "resourcetype":"Results", @@ -12428,7 +12421,6 @@ "doi":"https://doi.org/10.14469/hpc/11555", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11555", -"localName":"10.14469_hpc_11555.xml", "attributes":{"identifier":"10.14469/HPC/11555", "identifiertype":"DOI", "resourcetype":"Results", @@ -12441,7 +12433,6 @@ "doi":"https://doi.org/10.14469/hpc/11712", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11712", -"localName":"10.14469_hpc_11712.xml", "attributes":{"identifier":"10.14469/HPC/11712", "identifiertype":"DOI", "resourcetype":"Results", @@ -12454,7 +12445,6 @@ "doi":"https://doi.org/10.14469/hpc/11329", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11329", -"localName":"10.14469_hpc_11329.xml", "attributes":{"identifier":"10.14469/HPC/11329", "identifiertype":"DOI", "resourcetype":"Results", @@ -12467,7 +12457,6 @@ "doi":"https://doi.org/10.14469/hpc/11568", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11568", -"localName":"10.14469_hpc_11568.xml", "attributes":{"identifier":"10.14469/HPC/11568", "identifiertype":"DOI", "resourcetype":"Results", @@ -12480,7 +12469,6 @@ "doi":"https://doi.org/10.14469/hpc/11512", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11512", -"localName":"10.14469_hpc_11512.xml", "attributes":{"identifier":"10.14469/HPC/11512", "identifiertype":"DOI", "resourcetype":"Results", @@ -12493,7 +12481,6 @@ "doi":"https://doi.org/10.14469/hpc/11542", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11542", -"localName":"10.14469_hpc_11542.xml", "attributes":{"identifier":"10.14469/HPC/11542", "identifiertype":"DOI", "resourcetype":"Results", @@ -12506,7 +12493,6 @@ "doi":"https://doi.org/10.14469/hpc/11691", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11691", -"localName":"10.14469_hpc_11691.xml", "attributes":{"Gibbs_Energy":"-2107.704571", "IFD_property_dataobject_fairspec_comp_description":"Gaussian computation", "identifier":"10.14469/HPC/11691", @@ -12521,7 +12507,6 @@ "doi":"https://doi.org/10.14469/hpc/11528", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11528", -"localName":"10.14469_hpc_11528.xml", "attributes":{"identifier":"10.14469/HPC/11528", "identifiertype":"DOI", "resourcetype":"Results", @@ -12534,7 +12519,6 @@ "doi":"https://doi.org/10.14469/hpc/11515", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11515", -"localName":"10.14469_hpc_11515.xml", "attributes":{"identifier":"10.14469/HPC/11515", "identifiertype":"DOI", "resourcetype":"Results", @@ -12547,7 +12531,6 @@ "doi":"https://doi.org/10.14469/hpc/11344", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11344", -"localName":"10.14469_hpc_11344.xml", "attributes":{"IFD_property_dataobject_fairspec_xrd_description":"Crystal structure", "identifier":"10.14469/HPC/11344", "identifiertype":"DOI", @@ -12561,7 +12544,6 @@ "doi":"https://doi.org/10.14469/hpc/11343", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11343", -"localName":"10.14469_hpc_11343.xml", "attributes":{"identifier":"10.14469/HPC/11343", "identifiertype":"DOI", "resourcetype":"Results", @@ -12574,7 +12556,6 @@ "doi":"https://doi.org/10.14469/hpc/11499", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11499", -"localName":"10.14469_hpc_11499.xml", "attributes":{"identifier":"10.14469/HPC/11499", "identifiertype":"DOI", "resourcetype":"Results", @@ -12587,7 +12568,6 @@ "doi":"https://doi.org/10.14469/hpc/11522", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11522", -"localName":"10.14469_hpc_11522.xml", "attributes":{"identifier":"10.14469/HPC/11522", "identifiertype":"DOI", "resourcetype":"Results", @@ -12600,7 +12580,6 @@ "doi":"https://doi.org/10.14469/hpc/11348", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11348", -"localName":"10.14469_hpc_11348.xml", "attributes":{"IFD_property_dataobject_fairspec_xrd_description":"Crystal structure", "identifier":"10.14469/HPC/11348", "identifiertype":"DOI", @@ -12614,7 +12593,6 @@ "doi":"https://doi.org/10.14469/hpc/11349", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11349", -"localName":"10.14469_hpc_11349.xml", "attributes":{"identifier":"10.14469/HPC/11349", "identifiertype":"DOI", "resourcetype":"Results", @@ -12627,7 +12605,6 @@ "doi":"https://doi.org/10.14469/hpc/11442", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11442", -"localName":"10.14469_hpc_11442.xml", "attributes":{"identifier":"10.14469/HPC/11442", "identifiertype":"DOI", "resourcetype":"Results", @@ -12640,7 +12617,6 @@ "doi":"https://doi.org/10.14469/hpc/11601", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11601", -"localName":"10.14469_hpc_11601.xml", "attributes":{"identifier":"10.14469/HPC/11601", "identifiertype":"DOI", "resourcetype":"Results", @@ -12653,7 +12629,6 @@ "doi":"https://doi.org/10.14469/hpc/11609", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11609", -"localName":"10.14469_hpc_11609.xml", "attributes":{"identifier":"10.14469/HPC/11609", "identifiertype":"DOI", "resourcetype":"Results", @@ -12666,7 +12641,6 @@ "doi":"https://doi.org/10.14469/hpc/11714", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11714", -"localName":"10.14469_hpc_11714.xml", "attributes":{"identifier":"10.14469/HPC/11714", "identifiertype":"DOI", "resourcetype":"Results", @@ -12679,7 +12653,6 @@ "doi":"https://doi.org/10.14469/hpc/11594", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11594", -"localName":"10.14469_hpc_11594.xml", "attributes":{"identifier":"10.14469/HPC/11594", "identifiertype":"DOI", "resourcetype":"Results", @@ -12692,7 +12665,6 @@ "doi":"https://doi.org/10.14469/hpc/11615", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11615", -"localName":"10.14469_hpc_11615.xml", "attributes":{"identifier":"10.14469/HPC/11615", "identifiertype":"DOI", "resourcetype":"Results", @@ -12705,7 +12677,6 @@ "doi":"https://doi.org/10.14469/hpc/11617", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11617", -"localName":"10.14469_hpc_11617.xml", "attributes":{"identifier":"10.14469/HPC/11617", "identifiertype":"DOI", "resourcetype":"Results", @@ -12718,7 +12689,6 @@ "doi":"https://doi.org/10.14469/hpc/11374", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11374", -"localName":"10.14469_hpc_11374.xml", "attributes":{"identifier":"10.14469/HPC/11374", "identifiertype":"DOI", "resourcetype":"Results", @@ -12731,7 +12701,6 @@ "doi":"https://doi.org/10.14469/hpc/11611", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11611", -"localName":"10.14469_hpc_11611.xml", "attributes":{"identifier":"10.14469/HPC/11611", "identifiertype":"DOI", "resourcetype":"Results", @@ -12744,7 +12713,6 @@ "doi":"https://doi.org/10.14469/hpc/11613", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11613", -"localName":"10.14469_hpc_11613.xml", "attributes":{"identifier":"10.14469/HPC/11613", "identifiertype":"DOI", "resourcetype":"Results", @@ -12757,7 +12725,6 @@ "doi":"https://doi.org/10.14469/hpc/11587", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11587", -"localName":"10.14469_hpc_11587.xml", "attributes":{"identifier":"10.14469/HPC/11587", "identifiertype":"DOI", "resourcetype":"Results", @@ -12770,7 +12737,6 @@ "doi":"https://doi.org/10.14469/hpc/11578", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11578", -"localName":"10.14469_hpc_11578.xml", "attributes":{"identifier":"10.14469/HPC/11578", "identifiertype":"DOI", "resourcetype":"Results", @@ -12783,7 +12749,6 @@ "doi":"https://doi.org/10.14469/hpc/11396", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11396", -"localName":"10.14469_hpc_11396.xml", "attributes":{"identifier":"10.14469/HPC/11396", "identifiertype":"DOI", "resourcetype":"Results", @@ -12796,7 +12761,6 @@ "doi":"https://doi.org/10.14469/hpc/14707", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/14707", -"localName":"10.14469_hpc_14707.xml", "attributes":{"identifier":"10.14469/HPC/14707", "identifiertype":"DOI", "resourcetype":"Results", @@ -12809,7 +12773,6 @@ "doi":"https://doi.org/10.14469/hpc/11726", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11726", -"localName":"10.14469_hpc_11726.xml", "attributes":{"identifier":"10.14469/HPC/11726", "identifiertype":"DOI", "resourcetype":"Results", @@ -12822,7 +12785,6 @@ "doi":"https://doi.org/10.14469/hpc/11397", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11397", -"localName":"10.14469_hpc_11397.xml", "attributes":{"identifier":"10.14469/HPC/11397", "identifiertype":"DOI", "resourcetype":"Results", @@ -12835,7 +12797,6 @@ "doi":"https://doi.org/10.14469/hpc/11656", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11656", -"localName":"10.14469_hpc_11656.xml", "attributes":{"identifier":"10.14469/HPC/11656", "identifiertype":"DOI", "resourcetype":"Results", @@ -12848,7 +12809,6 @@ "doi":"https://doi.org/10.14469/hpc/11658", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11658", -"localName":"10.14469_hpc_11658.xml", "attributes":{"identifier":"10.14469/HPC/11658", "identifiertype":"DOI", "resourcetype":"Results", @@ -12861,7 +12821,6 @@ "doi":"https://doi.org/10.14469/hpc/11732", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11732", -"localName":"10.14469_hpc_11732.xml", "attributes":{"identifier":"10.14469/HPC/11732", "identifiertype":"DOI", "resourcetype":"Results", @@ -12874,7 +12833,6 @@ "doi":"https://doi.org/10.14469/hpc/11733", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11733", -"localName":"10.14469_hpc_11733.xml", "attributes":{"identifier":"10.14469/HPC/11733", "identifiertype":"DOI", "resourcetype":"Results", @@ -12887,7 +12845,6 @@ "doi":"https://doi.org/10.14469/hpc/11400", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11400", -"localName":"10.14469_hpc_11400.xml", "attributes":{"identifier":"10.14469/HPC/11400", "identifiertype":"DOI", "resourcetype":"Results", @@ -12900,7 +12857,6 @@ "doi":"https://doi.org/10.14469/hpc/11401", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11401", -"localName":"10.14469_hpc_11401.xml", "attributes":{"identifier":"10.14469/HPC/11401", "identifiertype":"DOI", "resourcetype":"Results", @@ -12913,7 +12869,6 @@ "doi":"https://doi.org/10.14469/hpc/11402", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11402", -"localName":"10.14469_hpc_11402.xml", "attributes":{"identifier":"10.14469/HPC/11402", "identifiertype":"DOI", "resourcetype":"Results", @@ -12926,7 +12881,6 @@ "doi":"https://doi.org/10.14469/hpc/10385", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/10385", -"localName":"10.14469_hpc_10385.xml", "attributes":{"identifier":"10.14469/HPC/10385", "identifiertype":"DOI", "resourcetype":"Results", @@ -12939,7 +12893,6 @@ "doi":"https://doi.org/10.14469/hpc/10323", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/10323", -"localName":"10.14469_hpc_10323.xml", "attributes":{"Gibbs_Energy":"-3270.766634", "IFD_property_dataobject_fairspec_comp_description":"Gaussian computation", "identifier":"10.14469/HPC/10323", @@ -12954,7 +12907,6 @@ "doi":"https://doi.org/10.14469/hpc/10292", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/10292", -"localName":"10.14469_hpc_10292.xml", "attributes":{"Gibbs_Energy":"-3270.768676", "IFD_property_dataobject_fairspec_comp_description":"Gaussian Computation", "identifier":"10.14469/HPC/10292", @@ -12969,7 +12921,6 @@ "doi":"https://doi.org/10.14469/hpc/10311", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/10311", -"localName":"10.14469_hpc_10311.xml", "attributes":{"Gibbs_Energy":"-3270.766757", "IFD_property_dataobject_fairspec_comp_description":"Gaussian computation", "identifier":"10.14469/HPC/10311", @@ -12984,7 +12935,6 @@ "doi":"https://doi.org/10.14469/hpc/11403", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11403", -"localName":"10.14469_hpc_11403.xml", "attributes":{"identifier":"10.14469/HPC/11403", "identifiertype":"DOI", "resourcetype":"Results", @@ -12997,7 +12947,6 @@ "doi":"https://doi.org/10.14469/hpc/11404", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11404", -"localName":"10.14469_hpc_11404.xml", "attributes":{"identifier":"10.14469/HPC/11404", "identifiertype":"DOI", "resourcetype":"Results", @@ -13010,7 +12959,6 @@ "doi":"https://doi.org/10.14469/hpc/11740", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11740", -"localName":"10.14469_hpc_11740.xml", "attributes":{"InChIKey":"QMGSYWONMRFYEQ-UHFFFAOYSA-L", "identifier":"10.14469/HPC/11740", "identifiertype":"DOI", @@ -13024,7 +12972,6 @@ "doi":"https://doi.org/10.14469/hpc/11405", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11405", -"localName":"10.14469_hpc_11405.xml", "attributes":{"identifier":"10.14469/HPC/11405", "identifiertype":"DOI", "resourcetype":"Results", @@ -13037,7 +12984,6 @@ "doi":"https://doi.org/10.14469/hpc/11535", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11535", -"localName":"10.14469_hpc_11535.xml", "attributes":{"identifier":"10.14469/HPC/11535", "identifiertype":"DOI", "resourcetype":"Results", @@ -13050,7 +12996,6 @@ "doi":"https://doi.org/10.14469/hpc/11549", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11549", -"localName":"10.14469_hpc_11549.xml", "attributes":{"identifier":"10.14469/HPC/11549", "identifiertype":"DOI", "resourcetype":"Results", @@ -13063,7 +13008,6 @@ "doi":"https://doi.org/10.14469/hpc/11741", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11741", -"localName":"10.14469_hpc_11741.xml", "attributes":{"identifier":"10.14469/HPC/11741", "identifiertype":"DOI", "resourcetype":"Results", @@ -13076,7 +13020,6 @@ "doi":"https://doi.org/10.14469/hpc/11742", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11742", -"localName":"10.14469_hpc_11742.xml", "attributes":{"identifier":"10.14469/HPC/11742", "identifiertype":"DOI", "resourcetype":"Results", @@ -13089,7 +13032,6 @@ "doi":"https://doi.org/10.14469/hpc/11408", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11408", -"localName":"10.14469_hpc_11408.xml", "attributes":{"identifier":"10.14469/HPC/11408", "identifiertype":"DOI", "resourcetype":"Results", @@ -13102,7 +13044,6 @@ "doi":"https://doi.org/10.14469/hpc/11409", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11409", -"localName":"10.14469_hpc_11409.xml", "attributes":{"identifier":"10.14469/HPC/11409", "identifiertype":"DOI", "resourcetype":"Results", @@ -13115,7 +13056,6 @@ "doi":"https://doi.org/10.14469/hpc/11743", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11743", -"localName":"10.14469_hpc_11743.xml", "attributes":{"identifier":"10.14469/HPC/11743", "identifiertype":"DOI", "resourcetype":"Results", @@ -13128,7 +13068,6 @@ "doi":"https://doi.org/10.14469/hpc/11744", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11744", -"localName":"10.14469_hpc_11744.xml", "attributes":{"identifier":"10.14469/HPC/11744", "identifiertype":"DOI", "resourcetype":"Results", @@ -13141,7 +13080,6 @@ "doi":"https://doi.org/10.14469/hpc/11745", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11745", -"localName":"10.14469_hpc_11745.xml", "attributes":{"identifier":"10.14469/HPC/11745", "identifiertype":"DOI", "resourcetype":"Results", @@ -13154,7 +13092,6 @@ "doi":"https://doi.org/10.14469/hpc/11410", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11410", -"localName":"10.14469_hpc_11410.xml", "attributes":{"identifier":"10.14469/HPC/11410", "identifiertype":"DOI", "resourcetype":"Results", @@ -13167,7 +13104,6 @@ "doi":"https://doi.org/10.14469/hpc/11746", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11746", -"localName":"10.14469_hpc_11746.xml", "attributes":{"identifier":"10.14469/HPC/11746", "identifiertype":"DOI", "resourcetype":"Results", @@ -13180,7 +13116,6 @@ "doi":"https://doi.org/10.14469/hpc/11747", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11747", -"localName":"10.14469_hpc_11747.xml", "attributes":{"identifier":"10.14469/HPC/11747", "identifiertype":"DOI", "resourcetype":"Results", @@ -13193,7 +13128,6 @@ "doi":"https://doi.org/10.14469/hpc/11748", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11748", -"localName":"10.14469_hpc_11748.xml", "attributes":{"identifier":"10.14469/HPC/11748", "identifiertype":"DOI", "resourcetype":"Results", @@ -13206,7 +13140,6 @@ "doi":"https://doi.org/10.14469/hpc/11749", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/11749", -"localName":"10.14469_hpc_11749.xml", "attributes":{"identifier":"10.14469/HPC/11749", "identifiertype":"DOI", "resourcetype":"Results", @@ -13219,7 +13152,6 @@ "doi":"https://doi.org/10.14469/hpc/12307", "ifdType":"org.iupac.fairdata.core.IFDReference", "doi":"https://doi.org/10.14469/hpc/12307", -"localName":"10.14469_hpc_12307.xml", "attributes":{"identifier":"10.14469/HPC/12307", "identifiertype":"DOI", "resourcetype":"Results", diff --git a/docs/examples/v5-icl-repository-DOI-crawl/10.14469_hpc_10386/ifd-fileURLMap.txt b/docs/examples/v5-icl-repository-DOI-crawl/10.14469_hpc_10386/ifd-fileURLMap.txt index bf80d81..67104d0 100644 --- a/docs/examples/v5-icl-repository-DOI-crawl/10.14469_hpc_10386/ifd-fileURLMap.txt +++ b/docs/examples/v5-icl-repository-DOI-crawl/10.14469_hpc_10386/ifd-fileURLMap.txt @@ -1,21 +1,21 @@ -10.14469/hpc/10386> [IFDReference 1 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/10386>as>10.14469_hpc_10386.xml url:null doi:https://doi.org/10.14469/hpc/10386] Syntheses and Characterization of Main Group, Transition Metal, Lanthanide and Actinide Complexes of Bidentate Acylpyrazolone Ligands -10.14469/hpc/10386>C>11349> [IFDReference 2 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11349>as>10.14469_hpc_11349.xml url:null doi:https://doi.org/10.14469/hpc/11349] Compound 21: Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium -10.14469/hpc/10386>C>11349>C>11448> [IFDReference 3 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11448>as>10.14469_hpc_11448.xml url:null doi:https://doi.org/10.14469/hpc/11448] IR Data for Compound 21 +10.14469/hpc/10386> [IFDReference 1 https://doi.org/10.14469/hpc/10386>as>null url:null doi:https://doi.org/10.14469/hpc/10386] Syntheses and Characterization of Main Group, Transition Metal, Lanthanide and Actinide Complexes of Bidentate Acylpyrazolone Ligands +10.14469/hpc/10386>C>11349> [IFDReference 2 https://doi.org/10.14469/hpc/11349>as>null url:null doi:https://doi.org/10.14469/hpc/11349] Compound 21: Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium +10.14469/hpc/10386>C>11349>C>11448> [IFDReference 3 https://doi.org/10.14469/hpc/11448>as>null url:null doi:https://doi.org/10.14469/hpc/11448] IR Data for Compound 21 10.14469/hpc/10386>C>11349>C>11448>D>R [IFDReference 8 https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=5>as>21.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=5 doi:null] 10.14469/hpc/10386>C>11349>C>11448>D>R [IFDReference 10 https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=7>as>21.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=7 doi:null] 10.14469/hpc/10386>C>11349>C>11448>D>R [IFDReference 9 https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=6>as>21.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=6 doi:null] 10.14469/hpc/10386>C>11349>C>11448>D>R [IFDReference 5 https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=2>as>Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21).cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=2 doi:null] 10.14469/hpc/10386>C>11349>C>11448>D>R [IFDReference 4 https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=1>as>IR.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11448&file=1 doi:null] -10.14469/hpc/10386>C>11349>C>11350> [IFDReference 11 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11350>as>10.14469_hpc_11350.xml url:null doi:https://doi.org/10.14469/hpc/11350] Crystal structure data for Compound 21. Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium +10.14469/hpc/10386>C>11349>C>11350> [IFDReference 11 https://doi.org/10.14469/hpc/11350>as>null url:null doi:https://doi.org/10.14469/hpc/11350] Crystal structure data for Compound 21. Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium 10.14469/hpc/10386>C>11349>C>11350>D>R [IFDReference 16 https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=5>as>21.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=5 doi:null] 10.14469/hpc/10386>C>11349>C>11350>D>R [IFDReference 18 https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=7>as>21.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=7 doi:null] 10.14469/hpc/10386>C>11349>C>11350>D>R [IFDReference 17 https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=6>as>21.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=6 doi:null] 10.14469/hpc/10386>C>11349>C>11350>D>R [IFDReference 13 https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=2>as>AB2144.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=2 doi:null] 10.14469/hpc/10386>C>11349>C>11350>D>R [IFDReference 12 https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=1>as>AB2144.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=1 doi:null] 10.14469/hpc/10386>C>11349>C>11350>D>R [IFDReference 14 https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=3>as>AB2144.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11350&file=3 doi:null] -10.14469/hpc/10386>C>11349>C>11442> [IFDReference 19 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11442>as>10.14469_hpc_11442.xml url:null doi:https://doi.org/10.14469/hpc/11442] NMR Data for Compound 21. +10.14469/hpc/10386>C>11349>C>11442> [IFDReference 19 https://doi.org/10.14469/hpc/11442>as>null url:null doi:https://doi.org/10.14469/hpc/11442] NMR Data for Compound 21. 10.14469/hpc/10386>C>11349>C>11442>C>R [IFDReference 21 https://data.hpc.imperial.ac.uk/resolve/?doi=11442&file=2>as>21.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11442&file=2 doi:null] -10.14469/hpc/10386>C>11349>C>11442>C>11443> [IFDReference 22 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11443>as>10.14469_hpc_11443.xml url:null doi:https://doi.org/10.14469/hpc/11443] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium, 21, 13C +10.14469/hpc/10386>C>11349>C>11442>C>11443> [IFDReference 22 https://doi.org/10.14469/hpc/11443>as>null url:null doi:https://doi.org/10.14469/hpc/11443] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium, 21, 13C 10.14469/hpc/10386>C>11349>C>11442>C>11443>D>R [IFDReference 24 https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=2>as>21-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=2 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11443>D>R [IFDReference 23 https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=1>as>21-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=1 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11443>D>R [IFDReference 25 https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=3>as>21-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=3 doi:null] @@ -24,7 +24,7 @@ 10.14469/hpc/10386>C>11349>C>11442>C>11443>D>R [IFDReference 31 https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=9>as>21.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=9 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11443>D>R [IFDReference 30 https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=8>as>21.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=8 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11443>D>R [IFDReference 26 https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=4>as>Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21).cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11443&file=4 doi:null] -10.14469/hpc/10386>C>11349>C>11442>C>11444> [IFDReference 32 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11444>as>10.14469_hpc_11444.xml url:null doi:https://doi.org/10.14469/hpc/11444] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21), 1H +10.14469/hpc/10386>C>11349>C>11442>C>11444> [IFDReference 32 https://doi.org/10.14469/hpc/11444>as>null url:null doi:https://doi.org/10.14469/hpc/11444] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21), 1H 10.14469/hpc/10386>C>11349>C>11442>C>11444>D>R [IFDReference 36 https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=4>as>21-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=4 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11444>D>R [IFDReference 34 https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=2>as>21-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=2 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11444>D>R [IFDReference 35 https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=3>as>21-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=3 doi:null] @@ -33,7 +33,7 @@ 10.14469/hpc/10386>C>11349>C>11442>C>11444>D>R [IFDReference 41 https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=9>as>21.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=9 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11444>D>R [IFDReference 40 https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=8>as>21.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=8 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11444>D>R [IFDReference 37 https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=5>as>Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21).cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11444&file=5 doi:null] -10.14469/hpc/10386>C>11349>C>11442>C>11445> [IFDReference 42 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11445>as>10.14469_hpc_11445.xml url:null doi:https://doi.org/10.14469/hpc/11445] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21) 1H-13C HMBC +10.14469/hpc/10386>C>11349>C>11442>C>11445> [IFDReference 42 https://doi.org/10.14469/hpc/11445>as>null url:null doi:https://doi.org/10.14469/hpc/11445] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21) 1H-13C HMBC 10.14469/hpc/10386>C>11349>C>11442>C>11445>D>R [IFDReference 45 https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=3>as>21-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=3 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11445>D>R [IFDReference 44 https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=2>as>21-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=2 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11445>D>R [IFDReference 46 https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=4>as>21-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=4 doi:null] @@ -42,7 +42,7 @@ 10.14469/hpc/10386>C>11349>C>11442>C>11445>D>R [IFDReference 51 https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=9>as>21.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=9 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11445>D>R [IFDReference 50 https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=8>as>21.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=8 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11445>D>R [IFDReference 47 https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=5>as>Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21).cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11445&file=5 doi:null] -10.14469/hpc/10386>C>11349>C>11442>C>11446> [IFDReference 52 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11446>as>10.14469_hpc_11446.xml url:null doi:https://doi.org/10.14469/hpc/11446] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21), 1H, COSY +10.14469/hpc/10386>C>11349>C>11442>C>11446> [IFDReference 52 https://doi.org/10.14469/hpc/11446>as>null url:null doi:https://doi.org/10.14469/hpc/11446] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21), 1H, COSY 10.14469/hpc/10386>C>11349>C>11442>C>11446>D>R [IFDReference 56 https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=4>as>21-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=4 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11446>D>R [IFDReference 54 https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=2>as>21-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=2 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11446>D>R [IFDReference 55 https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=3>as>21-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=3 doi:null] @@ -51,7 +51,7 @@ 10.14469/hpc/10386>C>11349>C>11442>C>11446>D>R [IFDReference 61 https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=9>as>21.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=9 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11446>D>R [IFDReference 60 https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=8>as>21.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=8 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11446>D>R [IFDReference 57 https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=5>as>Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21).cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11446&file=5 doi:null] -10.14469/hpc/10386>C>11349>C>11442>C>11447> [IFDReference 62 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11447>as>10.14469_hpc_11447.xml url:null doi:https://doi.org/10.14469/hpc/11447] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21), 1H, HSQC +10.14469/hpc/10386>C>11349>C>11442>C>11447> [IFDReference 62 https://doi.org/10.14469/hpc/11447>as>null url:null doi:https://doi.org/10.14469/hpc/11447] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21), 1H, HSQC 10.14469/hpc/10386>C>11349>C>11442>C>11447>D>R [IFDReference 66 https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=4>as>21-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=4 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11447>D>R [IFDReference 64 https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=2>as>21-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=2 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11447>D>R [IFDReference 65 https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=3>as>21-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=3 doi:null] @@ -60,26 +60,26 @@ 10.14469/hpc/10386>C>11349>C>11442>C>11447>D>R [IFDReference 71 https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=9>as>21.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=9 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11447>D>R [IFDReference 70 https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=8>as>21.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=8 doi:null] 10.14469/hpc/10386>C>11349>C>11442>C>11447>D>R [IFDReference 67 https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=5>as>Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21).cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11447&file=5 doi:null] -10.14469/hpc/10386>C>11405> [IFDReference 72 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11405>as>10.14469_hpc_11405.xml url:null doi:https://doi.org/10.14469/hpc/11405] Compound 60: Bis(ethanol) bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)nickel -10.14469/hpc/10386>C>11405>C>11507> [IFDReference 73 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11507>as>10.14469_hpc_11507.xml url:null doi:https://doi.org/10.14469/hpc/11507] IR Data for Compound 60 +10.14469/hpc/10386>C>11405> [IFDReference 72 https://doi.org/10.14469/hpc/11405>as>null url:null doi:https://doi.org/10.14469/hpc/11405] Compound 60: Bis(ethanol) bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)nickel +10.14469/hpc/10386>C>11405>C>11507> [IFDReference 73 https://doi.org/10.14469/hpc/11507>as>null url:null doi:https://doi.org/10.14469/hpc/11507] IR Data for Compound 60 10.14469/hpc/10386>C>11405>C>11507>D>R [IFDReference 76 https://data.hpc.imperial.ac.uk/resolve/?doi=11507&file=3>as>60.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11507&file=3 doi:null] 10.14469/hpc/10386>C>11405>C>11507>D>R [IFDReference 77 https://data.hpc.imperial.ac.uk/resolve/?doi=11507&file=4>as>60.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11507&file=4 doi:null] 10.14469/hpc/10386>C>11405>C>11507>D>R [IFDReference 78 https://data.hpc.imperial.ac.uk/resolve/?doi=11507&file=5>as>60.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11507&file=5 doi:null] 10.14469/hpc/10386>C>11405>C>11507>D>R [IFDReference 75 https://data.hpc.imperial.ac.uk/resolve/?doi=11507&file=2>as>TM-VI-205_2021-12-20T14-07-11.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11507&file=2 doi:null] -10.14469/hpc/10386>C>11405>C>11428> [IFDReference 79 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11428>as>10.14469_hpc_11428.xml url:null doi:https://doi.org/10.14469/hpc/11428] Primary crystal structure data for Compound 60. Bis(ethanol) bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)nickel +10.14469/hpc/10386>C>11405>C>11428> [IFDReference 79 https://doi.org/10.14469/hpc/11428>as>null url:null doi:https://doi.org/10.14469/hpc/11428] Primary crystal structure data for Compound 60. Bis(ethanol) bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)nickel 10.14469/hpc/10386>C>11405>C>11428>D>R [IFDReference 83 https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=4>as>60.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=4 doi:null] 10.14469/hpc/10386>C>11405>C>11428>D>R [IFDReference 84 https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=5>as>60.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=5 doi:null] 10.14469/hpc/10386>C>11405>C>11428>D>R [IFDReference 81 https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=2>as>AB2241.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=2 doi:null] 10.14469/hpc/10386>C>11405>C>11428>D>R [IFDReference 80 https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=1>as>AB2241.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=1 doi:null] 10.14469/hpc/10386>C>11405>C>11428>D>R [IFDReference 82 https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=3>as>AB2241.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11428&file=3 doi:null] -10.14469/hpc/10386>C>11405>C>11428>D>ccdc.csd.cc2d6qr3> [IFDReference 85 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qr3>as>10.5517_ccdc.csd.cc2d6qr3.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qr3] CCDC 2211005: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11714> [IFDReference 86 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11714>as>10.14469_hpc_11714.xml url:null doi:https://doi.org/10.14469/hpc/11714] Compound 26: Tris((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)scandium +10.14469/hpc/10386>C>11405>C>11428>D>ccdc.csd.cc2d6qr3> [IFDReference 85 https://doi.org/10.5517/ccdc.csd.cc2d6qr3>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qr3] CCDC 2211005: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11714> [IFDReference 86 https://doi.org/10.14469/hpc/11714>as>null url:null doi:https://doi.org/10.14469/hpc/11714] Compound 26: Tris((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)scandium 10.14469/hpc/10386>C>11714>C>R [IFDReference 89 https://data.hpc.imperial.ac.uk/resolve/?doi=11714&file=3>as>26.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11714&file=3 doi:null] 10.14469/hpc/10386>C>11714>C>R [IFDReference 90 https://data.hpc.imperial.ac.uk/resolve/?doi=11714&file=4>as>26.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11714&file=4 doi:null] 10.14469/hpc/10386>C>11714>C>R [IFDReference 88 https://data.hpc.imperial.ac.uk/resolve/?doi=11714&file=2>as>26.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11714&file=2 doi:null] -10.14469/hpc/10386>C>11406> [IFDReference 91 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11406>as>10.14469_hpc_11406.xml url:null doi:https://doi.org/10.14469/hpc/11406] Compound 61: Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum -10.14469/hpc/10386>C>11406>C>11535> [IFDReference 92 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11535>as>10.14469_hpc_11535.xml url:null doi:https://doi.org/10.14469/hpc/11535] NMR Data for Compound 61. -10.14469/hpc/10386>C>11406>C>11535>C>11539> [IFDReference 93 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11539>as>10.14469_hpc_11539.xml url:null doi:https://doi.org/10.14469/hpc/11539] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 1H, COSY +10.14469/hpc/10386>C>11406> [IFDReference 91 https://doi.org/10.14469/hpc/11406>as>null url:null doi:https://doi.org/10.14469/hpc/11406] Compound 61: Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum +10.14469/hpc/10386>C>11406>C>11535> [IFDReference 92 https://doi.org/10.14469/hpc/11535>as>null url:null doi:https://doi.org/10.14469/hpc/11535] NMR Data for Compound 61. +10.14469/hpc/10386>C>11406>C>11535>C>11539> [IFDReference 93 https://doi.org/10.14469/hpc/11539>as>null url:null doi:https://doi.org/10.14469/hpc/11539] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 1H, COSY 10.14469/hpc/10386>C>11406>C>11535>C>11539>D>R [IFDReference 96 https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=3>as>61-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=3 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11539>D>R [IFDReference 95 https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=2>as>61-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=2 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11539>D>R [IFDReference 97 https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=4>as>61-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=4 doi:null] @@ -87,7 +87,7 @@ 10.14469/hpc/10386>C>11406>C>11535>C>11539>D>R [IFDReference 101 https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=8>as>61.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=8 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11539>D>R [IFDReference 100 https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=7>as>61.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=7 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11539>D>R [IFDReference 98 https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=5>as>61.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11539&file=5 doi:null] -10.14469/hpc/10386>C>11406>C>11535>C>11541> [IFDReference 102 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11541>as>10.14469_hpc_11541.xml url:null doi:https://doi.org/10.14469/hpc/11541] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 1H, 13C, HMBC +10.14469/hpc/10386>C>11406>C>11535>C>11541> [IFDReference 102 https://doi.org/10.14469/hpc/11541>as>null url:null doi:https://doi.org/10.14469/hpc/11541] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 1H, 13C, HMBC 10.14469/hpc/10386>C>11406>C>11535>C>11541>D>R [IFDReference 104 https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=2>as>61-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=2 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11541>D>R [IFDReference 106 https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=4>as>61-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=4 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11541>D>R [IFDReference 103 https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=1>as>61-hmbc.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=1 doi:null] @@ -95,7 +95,7 @@ 10.14469/hpc/10386>C>11406>C>11535>C>11541>D>R [IFDReference 105 https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=3>as>61.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=3 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11541>D>R [IFDReference 109 https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=7>as>61.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=7 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11541>D>R [IFDReference 107 https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=5>as>61.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11541&file=5 doi:null] -10.14469/hpc/10386>C>11406>C>11535>C>11540> [IFDReference 111 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11540>as>10.14469_hpc_11540.xml url:null doi:https://doi.org/10.14469/hpc/11540] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 1H, 13C, HMQC +10.14469/hpc/10386>C>11406>C>11535>C>11540> [IFDReference 111 https://doi.org/10.14469/hpc/11540>as>null url:null doi:https://doi.org/10.14469/hpc/11540] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 1H, 13C, HMQC 10.14469/hpc/10386>C>11406>C>11535>C>11540>D>R [IFDReference 114 https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=3>as>61-hmqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=3 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11540>D>R [IFDReference 113 https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=2>as>61-hmqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=2 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11540>D>R [IFDReference 115 https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=4>as>61-hmqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=4 doi:null] @@ -103,7 +103,7 @@ 10.14469/hpc/10386>C>11406>C>11535>C>11540>D>R [IFDReference 117 https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=6>as>61.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=6 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11540>D>R [IFDReference 118 https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=7>as>61.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=7 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11540>D>R [IFDReference 116 https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=5>as>61.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11540&file=5 doi:null] -10.14469/hpc/10386>C>11406>C>11535>C>11538> [IFDReference 119 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11538>as>10.14469_hpc_11538.xml url:null doi:https://doi.org/10.14469/hpc/11538] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 13C +10.14469/hpc/10386>C>11406>C>11535>C>11538> [IFDReference 119 https://doi.org/10.14469/hpc/11538>as>null url:null doi:https://doi.org/10.14469/hpc/11538] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 13C 10.14469/hpc/10386>C>11406>C>11535>C>11538>D>R [IFDReference 122 https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=3>as>61-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=3 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11538>D>R [IFDReference 121 https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=2>as>61-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=2 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11538>D>R [IFDReference 123 https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=4>as>61-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=4 doi:null] @@ -111,7 +111,7 @@ 10.14469/hpc/10386>C>11406>C>11535>C>11538>D>R [IFDReference 127 https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=8>as>61.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=8 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11538>D>R [IFDReference 126 https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=7>as>61.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=7 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11538>D>R [IFDReference 124 https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=5>as>61.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11538&file=5 doi:null] -10.14469/hpc/10386>C>11406>C>11535>C>11537> [IFDReference 128 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11537>as>10.14469_hpc_11537.xml url:null doi:https://doi.org/10.14469/hpc/11537] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 1H +10.14469/hpc/10386>C>11406>C>11535>C>11537> [IFDReference 128 https://doi.org/10.14469/hpc/11537>as>null url:null doi:https://doi.org/10.14469/hpc/11537] NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 1H 10.14469/hpc/10386>C>11406>C>11535>C>11537>D>R [IFDReference 131 https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=3>as>61-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=3 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11537>D>R [IFDReference 130 https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=2>as>61-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=2 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11537>D>R [IFDReference 132 https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=4>as>61-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=4 doi:null] @@ -119,41 +119,41 @@ 10.14469/hpc/10386>C>11406>C>11535>C>11537>D>R [IFDReference 136 https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=8>as>61.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=8 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11537>D>R [IFDReference 135 https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=7>as>61.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=7 doi:null] 10.14469/hpc/10386>C>11406>C>11535>C>11537>D>R [IFDReference 133 https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=5>as>61.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11537&file=5 doi:null] -10.14469/hpc/10386>C>11406>C>11536> [IFDReference 137 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11536>as>10.14469_hpc_11536.xml url:null doi:https://doi.org/10.14469/hpc/11536] IR Data for Compound 61. +10.14469/hpc/10386>C>11406>C>11536> [IFDReference 137 https://doi.org/10.14469/hpc/11536>as>null url:null doi:https://doi.org/10.14469/hpc/11536] IR Data for Compound 61. 10.14469/hpc/10386>C>11406>C>11536>D>R [IFDReference 140 https://data.hpc.imperial.ac.uk/resolve/?doi=11536&file=3>as>61.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11536&file=3 doi:null] 10.14469/hpc/10386>C>11406>C>11536>D>R [IFDReference 139 https://data.hpc.imperial.ac.uk/resolve/?doi=11536&file=2>as>61.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11536&file=2 doi:null] 10.14469/hpc/10386>C>11406>C>11536>D>R [IFDReference 138 https://data.hpc.imperial.ac.uk/resolve/?doi=11536&file=1>as>TM-VI-191_2021-12-05T18-21-45.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11536&file=1 doi:null] -10.14469/hpc/10386>C>11406>C>11429> [IFDReference 141 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11429>as>10.14469_hpc_11429.xml url:null doi:https://doi.org/10.14469/hpc/11429] Primary crystal structure data for Compound 61. Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum +10.14469/hpc/10386>C>11406>C>11429> [IFDReference 141 https://doi.org/10.14469/hpc/11429>as>null url:null doi:https://doi.org/10.14469/hpc/11429] Primary crystal structure data for Compound 61. Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum 10.14469/hpc/10386>C>11406>C>11429>D>R [IFDReference 145 https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=4>as>61.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=4 doi:null] 10.14469/hpc/10386>C>11406>C>11429>D>R [IFDReference 146 https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=5>as>61.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=5 doi:null] 10.14469/hpc/10386>C>11406>C>11429>D>R [IFDReference 143 https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=2>as>AB2223.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=2 doi:null] 10.14469/hpc/10386>C>11406>C>11429>D>R [IFDReference 142 https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=1>as>AB2223.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=1 doi:null] 10.14469/hpc/10386>C>11406>C>11429>D>R [IFDReference 144 https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=3>as>AB2223.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11429&file=3 doi:null] -10.14469/hpc/10386>C>11406>C>11429>D>ccdc.csd.cc2d6qs4> [IFDReference 147 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qs4>as>10.5517_ccdc.csd.cc2d6qs4.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qs4] CCDC 2211006: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>12307> [IFDReference 148 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/12307>as>10.14469_hpc_12307.xml url:null doi:https://doi.org/10.14469/hpc/12307] Compound 76: Bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)dioxouranium -10.14469/hpc/10386>C>12307>C>12308> [IFDReference 149 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/12308>as>10.14469_hpc_12308.xml url:null doi:https://doi.org/10.14469/hpc/12308] Primary crystal structure data for Compound 76. +10.14469/hpc/10386>C>11406>C>11429>D>ccdc.csd.cc2d6qs4> [IFDReference 147 https://doi.org/10.5517/ccdc.csd.cc2d6qs4>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qs4] CCDC 2211006: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>12307> [IFDReference 148 https://doi.org/10.14469/hpc/12307>as>null url:null doi:https://doi.org/10.14469/hpc/12307] Compound 76: Bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)dioxouranium +10.14469/hpc/10386>C>12307>C>12308> [IFDReference 149 https://doi.org/10.14469/hpc/12308>as>null url:null doi:https://doi.org/10.14469/hpc/12308] Primary crystal structure data for Compound 76. 10.14469/hpc/10386>C>12307>C>12308>D>R [IFDReference 150 https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=1>as>LB-UO2L4.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=1 doi:null] 10.14469/hpc/10386>C>12307>C>12308>D>R [IFDReference 151 https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=2>as>LB-UO2L4.7z.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=2 doi:null] 10.14469/hpc/10386>C>12307>C>12308>D>R [IFDReference 155 https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=6>as>LB-UO2L4.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=6 doi:null] 10.14469/hpc/10386>C>12307>C>12308>D>R [IFDReference 152 https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=3>as>LB-UO2L4.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=3 doi:null] 10.14469/hpc/10386>C>12307>C>12308>D>R [IFDReference 153 https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=4>as>LB-UO2L4.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=12308&file=4 doi:null] -10.14469/hpc/10386>C>11732> [IFDReference 156 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11732>as>10.14469_hpc_11732.xml url:null doi:https://doi.org/10.14469/hpc/11732] Compound 51: ((4-Benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer +10.14469/hpc/10386>C>11732> [IFDReference 156 https://doi.org/10.14469/hpc/11732>as>null url:null doi:https://doi.org/10.14469/hpc/11732] Compound 51: ((4-Benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer 10.14469/hpc/10386>C>11732>C>R [IFDReference 160 https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=4>as>26.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=4 doi:null] 10.14469/hpc/10386>C>11732>C>R [IFDReference 159 https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=3>as>26.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=3 doi:null] 10.14469/hpc/10386>C>11732>C>R [IFDReference 158 https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=2>as>51.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=2 doi:null] 10.14469/hpc/10386>C>11732>C>R [IFDReference 161 https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=5>as>51.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=5 doi:null] 10.14469/hpc/10386>C>11732>C>R [IFDReference 162 https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=6>as>51.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11732&file=6 doi:null] -10.14469/hpc/10386>C>11745> [IFDReference 163 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11745>as>10.14469_hpc_11745.xml url:null doi:https://doi.org/10.14469/hpc/11745] Compound 69: Tris((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)ytterbium +10.14469/hpc/10386>C>11745> [IFDReference 163 https://doi.org/10.14469/hpc/11745>as>null url:null doi:https://doi.org/10.14469/hpc/11745] Compound 69: Tris((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)ytterbium 10.14469/hpc/10386>C>11745>C>R [IFDReference 164 https://data.hpc.imperial.ac.uk/resolve/?doi=11745&file=1>as>69.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11745&file=1 doi:null] 10.14469/hpc/10386>C>11745>C>R [IFDReference 166 https://data.hpc.imperial.ac.uk/resolve/?doi=11745&file=3>as>69.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11745&file=3 doi:null] 10.14469/hpc/10386>C>11745>C>R [IFDReference 165 https://data.hpc.imperial.ac.uk/resolve/?doi=11745&file=2>as>69.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11745&file=2 doi:null] -10.14469/hpc/10386>C>11740> [IFDReference 167 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11740>as>10.14469_hpc_11740.xml url:null doi:https://doi.org/10.14469/hpc/11740] Compound 59: Bis(ethanol) bis((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)nickel +10.14469/hpc/10386>C>11740> [IFDReference 167 https://doi.org/10.14469/hpc/11740>as>null url:null doi:https://doi.org/10.14469/hpc/11740] Compound 59: Bis(ethanol) bis((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)nickel 10.14469/hpc/10386>C>11740>C>R [IFDReference 168 https://data.hpc.imperial.ac.uk/resolve/?doi=11740&file=1>as>59.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11740&file=1 doi:null] 10.14469/hpc/10386>C>11740>C>R [IFDReference 170 https://data.hpc.imperial.ac.uk/resolve/?doi=11740&file=3>as>59.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11740&file=3 doi:null] 10.14469/hpc/10386>C>11740>C>R [IFDReference 169 https://data.hpc.imperial.ac.uk/resolve/?doi=11740&file=2>as>59.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11740&file=2 doi:null] -10.14469/hpc/10386>C>11347> [IFDReference 171 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11347>as>10.14469_hpc_11347.xml url:null doi:https://doi.org/10.14469/hpc/11347] Compound 20: bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate) calcium -10.14469/hpc/10386>C>11347>C>11522> [IFDReference 172 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11522>as>10.14469_hpc_11522.xml url:null doi:https://doi.org/10.14469/hpc/11522] NMR Data for Compound 20. -10.14469/hpc/10386>C>11347>C>11522>C>11524> [IFDReference 173 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11524>as>10.14469_hpc_11524.xml url:null doi:https://doi.org/10.14469/hpc/11524] NMR Data for (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium (20), 13C +10.14469/hpc/10386>C>11347> [IFDReference 171 https://doi.org/10.14469/hpc/11347>as>null url:null doi:https://doi.org/10.14469/hpc/11347] Compound 20: bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate) calcium +10.14469/hpc/10386>C>11347>C>11522> [IFDReference 172 https://doi.org/10.14469/hpc/11522>as>null url:null doi:https://doi.org/10.14469/hpc/11522] NMR Data for Compound 20. +10.14469/hpc/10386>C>11347>C>11522>C>11524> [IFDReference 173 https://doi.org/10.14469/hpc/11524>as>null url:null doi:https://doi.org/10.14469/hpc/11524] NMR Data for (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium (20), 13C 10.14469/hpc/10386>C>11347>C>11522>C>11524>D>R [IFDReference 176 https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=3>as>20-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=3 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11524>D>R [IFDReference 175 https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=2>as>20-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=2 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11524>D>R [IFDReference 177 https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=4>as>20-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=4 doi:null] @@ -161,7 +161,7 @@ 10.14469/hpc/10386>C>11347>C>11522>C>11524>D>R [IFDReference 181 https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=8>as>20.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=8 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11524>D>R [IFDReference 183 https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=10>as>20.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=10 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11524>D>R [IFDReference 182 https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=9>as>20.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11524&file=9 doi:null] -10.14469/hpc/10386>C>11347>C>11522>C>13944> [IFDReference 184 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/13944>as>10.14469_hpc_13944.xml url:null doi:https://doi.org/10.14469/hpc/13944] NMR Data for (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium (20), 1H, 13C, HSQC +10.14469/hpc/10386>C>11347>C>11522>C>13944> [IFDReference 184 https://doi.org/10.14469/hpc/13944>as>null url:null doi:https://doi.org/10.14469/hpc/13944] NMR Data for (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium (20), 1H, 13C, HSQC 10.14469/hpc/10386>C>11347>C>11522>C>13944>D>R [IFDReference 188 https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=4>as>20-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=4 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>13944>D>R [IFDReference 187 https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=3>as>20-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=3 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>13944>D>R [IFDReference 189 https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=5>as>20-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=5 doi:null] @@ -169,7 +169,7 @@ 10.14469/hpc/10386>C>11347>C>11522>C>13944>D>R [IFDReference 190 https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=6>as>20.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=6 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>13944>D>R [IFDReference 192 https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=8>as>20.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=8 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>13944>D>R [IFDReference 191 https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=7>as>20.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=13944&file=7 doi:null] -10.14469/hpc/10386>C>11347>C>11522>C>11523> [IFDReference 193 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11523>as>10.14469_hpc_11523.xml url:null doi:https://doi.org/10.14469/hpc/11523] NMR Data for (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium (20), 1H +10.14469/hpc/10386>C>11347>C>11522>C>11523> [IFDReference 193 https://doi.org/10.14469/hpc/11523>as>null url:null doi:https://doi.org/10.14469/hpc/11523] NMR Data for (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium (20), 1H 10.14469/hpc/10386>C>11347>C>11522>C>11523>D>R [IFDReference 196 https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=3>as>20-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=3 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11523>D>R [IFDReference 194 https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=1>as>20-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=1 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11523>D>R [IFDReference 197 https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=4>as>20-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=4 doi:null] @@ -177,7 +177,7 @@ 10.14469/hpc/10386>C>11347>C>11522>C>11523>D>R [IFDReference 201 https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=8>as>20.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=8 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11523>D>R [IFDReference 202 https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=9>as>20.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=9 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11523>D>R [IFDReference 203 https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=10>as>20.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11523&file=10 doi:null] -10.14469/hpc/10386>C>11347>C>11522>C>11525> [IFDReference 204 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11525>as>10.14469_hpc_11525.xml url:null doi:https://doi.org/10.14469/hpc/11525] NMR Data for (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium (20), 1H, 13C, HMBC +10.14469/hpc/10386>C>11347>C>11522>C>11525> [IFDReference 204 https://doi.org/10.14469/hpc/11525>as>null url:null doi:https://doi.org/10.14469/hpc/11525] NMR Data for (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium (20), 1H, 13C, HMBC 10.14469/hpc/10386>C>11347>C>11522>C>11525>D>R [IFDReference 207 https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=3>as>20-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=3 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11525>D>R [IFDReference 206 https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=2>as>20-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=2 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11525>D>R [IFDReference 208 https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=4>as>20-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=4 doi:null] @@ -185,39 +185,39 @@ 10.14469/hpc/10386>C>11347>C>11522>C>11525>D>R [IFDReference 212 https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=8>as>20.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=8 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11525>D>R [IFDReference 214 https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=10>as>20.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=10 doi:null] 10.14469/hpc/10386>C>11347>C>11522>C>11525>D>R [IFDReference 213 https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=9>as>20.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11525&file=9 doi:null] -10.14469/hpc/10386>C>11347>C>11521> [IFDReference 215 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11521>as>10.14469_hpc_11521.xml url:null doi:https://doi.org/10.14469/hpc/11521] IR Data for Compound 20. +10.14469/hpc/10386>C>11347>C>11521> [IFDReference 215 https://doi.org/10.14469/hpc/11521>as>null url:null doi:https://doi.org/10.14469/hpc/11521] IR Data for Compound 20. 10.14469/hpc/10386>C>11347>C>11521>D>R [IFDReference 220 https://data.hpc.imperial.ac.uk/resolve/?doi=11521&file=5>as>20.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11521&file=5 doi:null] 10.14469/hpc/10386>C>11347>C>11521>D>R [IFDReference 222 https://data.hpc.imperial.ac.uk/resolve/?doi=11521&file=7>as>20.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11521&file=7 doi:null] 10.14469/hpc/10386>C>11347>C>11521>D>R [IFDReference 221 https://data.hpc.imperial.ac.uk/resolve/?doi=11521&file=6>as>20.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11521&file=6 doi:null] 10.14469/hpc/10386>C>11347>C>11521>D>R [IFDReference 216 https://data.hpc.imperial.ac.uk/resolve/?doi=11521&file=1>as>TM-VI-107solid_2021-10-06T16-12-26.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11521&file=1 doi:null] -10.14469/hpc/10386>C>11347>C>11348> [IFDReference 223 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11348>as>10.14469_hpc_11348.xml url:null doi:https://doi.org/10.14469/hpc/11348] Crystal data for Compound 20. (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium +10.14469/hpc/10386>C>11347>C>11348> [IFDReference 223 https://doi.org/10.14469/hpc/11348>as>null url:null doi:https://doi.org/10.14469/hpc/11348] Crystal data for Compound 20. (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium 10.14469/hpc/10386>C>11347>C>11348>C>R [IFDReference 228 https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=5>as>20.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=5 doi:null] 10.14469/hpc/10386>C>11347>C>11348>C>R [IFDReference 227 https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=4>as>20.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=4 doi:null] 10.14469/hpc/10386>C>11347>C>11348>C>R [IFDReference 225 https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=2>as>AB2117.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=2 doi:null] 10.14469/hpc/10386>C>11347>C>11348>C>R [IFDReference 224 https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=1>as>AB2117.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=1 doi:null] 10.14469/hpc/10386>C>11347>C>11348>C>R [IFDReference 226 https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=3>as>AB2117.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11348&file=3 doi:null] -10.14469/hpc/10386>C>11347>C>11348>C>ccdc.csd.cc2d6rbq> [IFDReference 229 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6rbq>as>10.5517_ccdc.csd.cc2d6rbq.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6rbq] CCDC 2211023: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11744> [IFDReference 230 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11744>as>10.14469_hpc_11744.xml url:null doi:https://doi.org/10.14469/hpc/11744] Compound 68: Tris((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)dysprosium (68) +10.14469/hpc/10386>C>11347>C>11348>C>ccdc.csd.cc2d6rbq> [IFDReference 229 https://doi.org/10.5517/ccdc.csd.cc2d6rbq>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6rbq] CCDC 2211023: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11744> [IFDReference 230 https://doi.org/10.14469/hpc/11744>as>null url:null doi:https://doi.org/10.14469/hpc/11744] Compound 68: Tris((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)dysprosium (68) 10.14469/hpc/10386>C>11744>C>R [IFDReference 231 https://data.hpc.imperial.ac.uk/resolve/?doi=11744&file=1>as>68.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11744&file=1 doi:null] 10.14469/hpc/10386>C>11744>C>R [IFDReference 233 https://data.hpc.imperial.ac.uk/resolve/?doi=11744&file=3>as>68.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11744&file=3 doi:null] 10.14469/hpc/10386>C>11744>C>R [IFDReference 232 https://data.hpc.imperial.ac.uk/resolve/?doi=11744&file=2>as>68.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11744&file=2 doi:null] -10.14469/hpc/10386>C>11404> [IFDReference 234 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11404>as>10.14469_hpc_11404.xml url:null doi:https://doi.org/10.14469/hpc/11404] Compound 58: bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy) -10.14469/hpc/10386>C>11404>C>11509> [IFDReference 235 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11509>as>10.14469_hpc_11509.xml url:null doi:https://doi.org/10.14469/hpc/11509] IR Data for Sample 58. +10.14469/hpc/10386>C>11404> [IFDReference 234 https://doi.org/10.14469/hpc/11404>as>null url:null doi:https://doi.org/10.14469/hpc/11404] Compound 58: bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy) +10.14469/hpc/10386>C>11404>C>11509> [IFDReference 235 https://doi.org/10.14469/hpc/11509>as>null url:null doi:https://doi.org/10.14469/hpc/11509] IR Data for Sample 58. 10.14469/hpc/10386>C>11404>C>11509>D>R [IFDReference 240 https://data.hpc.imperial.ac.uk/resolve/?doi=11509&file=5>as>58.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11509&file=5 doi:null] 10.14469/hpc/10386>C>11404>C>11509>D>R [IFDReference 242 https://data.hpc.imperial.ac.uk/resolve/?doi=11509&file=7>as>58.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11509&file=7 doi:null] 10.14469/hpc/10386>C>11404>C>11509>D>R [IFDReference 241 https://data.hpc.imperial.ac.uk/resolve/?doi=11509&file=6>as>58.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11509&file=6 doi:null] 10.14469/hpc/10386>C>11404>C>11509>D>R [IFDReference 237 https://data.hpc.imperial.ac.uk/resolve/?doi=11509&file=2>as>TM-VI-203_2021-12-05T19-15-17.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11509&file=2 doi:null] -10.14469/hpc/10386>C>11404>C>11426> [IFDReference 243 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11426>as>10.14469_hpc_11426.xml url:null doi:https://doi.org/10.14469/hpc/11426] Primary crystal structure data for Compound 58. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)nickel +10.14469/hpc/10386>C>11404>C>11426> [IFDReference 243 https://doi.org/10.14469/hpc/11426>as>null url:null doi:https://doi.org/10.14469/hpc/11426] Primary crystal structure data for Compound 58. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)nickel 10.14469/hpc/10386>C>11404>C>11426>D>R [IFDReference 247 https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=4>as>58.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=4 doi:null] 10.14469/hpc/10386>C>11404>C>11426>D>R [IFDReference 249 https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=6>as>58.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=6 doi:null] 10.14469/hpc/10386>C>11404>C>11426>D>R [IFDReference 248 https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=5>as>58.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=5 doi:null] 10.14469/hpc/10386>C>11404>C>11426>D>R [IFDReference 245 https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=2>as>AB2237.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=2 doi:null] 10.14469/hpc/10386>C>11404>C>11426>D>R [IFDReference 244 https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=1>as>AB2237.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=1 doi:null] 10.14469/hpc/10386>C>11404>C>11426>D>R [IFDReference 246 https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=3>as>AB2237.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11426&file=3 doi:null] -10.14469/hpc/10386>C>11404>C>11426>D>ccdc.csd.cc2d6qq2> [IFDReference 250 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qq2>as>10.5517_ccdc.csd.cc2d6qq2.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qq2] CCDC 2211004: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11395> [IFDReference 251 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11395>as>10.14469_hpc_11395.xml url:null doi:https://doi.org/10.14469/hpc/11395] Compound 40: Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium -10.14469/hpc/10386>C>11395>C>11578> [IFDReference 252 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11578>as>10.14469_hpc_11578.xml url:null doi:https://doi.org/10.14469/hpc/11578] NMR Data for Compound 40. -10.14469/hpc/10386>C>11395>C>11578>C>11579> [IFDReference 253 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11579>as>10.14469_hpc_11579.xml url:null doi:https://doi.org/10.14469/hpc/11579] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 1H +10.14469/hpc/10386>C>11404>C>11426>D>ccdc.csd.cc2d6qq2> [IFDReference 250 https://doi.org/10.5517/ccdc.csd.cc2d6qq2>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qq2] CCDC 2211004: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11395> [IFDReference 251 https://doi.org/10.14469/hpc/11395>as>null url:null doi:https://doi.org/10.14469/hpc/11395] Compound 40: Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium +10.14469/hpc/10386>C>11395>C>11578> [IFDReference 252 https://doi.org/10.14469/hpc/11578>as>null url:null doi:https://doi.org/10.14469/hpc/11578] NMR Data for Compound 40. +10.14469/hpc/10386>C>11395>C>11578>C>11579> [IFDReference 253 https://doi.org/10.14469/hpc/11579>as>null url:null doi:https://doi.org/10.14469/hpc/11579] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 1H 10.14469/hpc/10386>C>11395>C>11578>C>11579>D>R [IFDReference 256 https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=3>as>40-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=3 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11579>D>R [IFDReference 255 https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=2>as>40-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=2 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11579>D>R [IFDReference 257 https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=4>as>40-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=4 doi:null] @@ -225,7 +225,7 @@ 10.14469/hpc/10386>C>11395>C>11578>C>11579>D>R [IFDReference 265 https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=12>as>40.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=12 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11579>D>R [IFDReference 263 https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=10>as>40.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=10 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11579>D>R [IFDReference 264 https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=11>as>40.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11579&file=11 doi:null] -10.14469/hpc/10386>C>11395>C>11578>C>11580> [IFDReference 266 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11580>as>10.14469_hpc_11580.xml url:null doi:https://doi.org/10.14469/hpc/11580] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 13C +10.14469/hpc/10386>C>11395>C>11578>C>11580> [IFDReference 266 https://doi.org/10.14469/hpc/11580>as>null url:null doi:https://doi.org/10.14469/hpc/11580] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 13C 10.14469/hpc/10386>C>11395>C>11578>C>11580>D>R [IFDReference 269 https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=3>as>40-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=3 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11580>D>R [IFDReference 268 https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=2>as>40-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=2 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11580>D>R [IFDReference 270 https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=4>as>40-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=4 doi:null] @@ -233,7 +233,7 @@ 10.14469/hpc/10386>C>11395>C>11578>C>11580>D>R [IFDReference 278 https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=12>as>40.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=12 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11580>D>R [IFDReference 275 https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=9>as>40.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=9 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11580>D>R [IFDReference 277 https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=11>as>40.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11580&file=11 doi:null] -10.14469/hpc/10386>C>11395>C>11578>C>11581> [IFDReference 279 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11581>as>10.14469_hpc_11581.xml url:null doi:https://doi.org/10.14469/hpc/11581] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 1H, COSY +10.14469/hpc/10386>C>11395>C>11578>C>11581> [IFDReference 279 https://doi.org/10.14469/hpc/11581>as>null url:null doi:https://doi.org/10.14469/hpc/11581] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 1H, COSY 10.14469/hpc/10386>C>11395>C>11578>C>11581>D>R [IFDReference 282 https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=3>as>40-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=3 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11581>D>R [IFDReference 281 https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=2>as>40-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=2 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11581>D>R [IFDReference 283 https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=4>as>40-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=4 doi:null] @@ -241,7 +241,7 @@ 10.14469/hpc/10386>C>11395>C>11578>C>11581>D>R [IFDReference 291 https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=12>as>40.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=12 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11581>D>R [IFDReference 288 https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=9>as>40.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=9 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11581>D>R [IFDReference 290 https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=11>as>40.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11581&file=11 doi:null] -10.14469/hpc/10386>C>11395>C>11578>C>11583> [IFDReference 292 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11583>as>10.14469_hpc_11583.xml url:null doi:https://doi.org/10.14469/hpc/11583] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 1H, 13C, HMQC +10.14469/hpc/10386>C>11395>C>11578>C>11583> [IFDReference 292 https://doi.org/10.14469/hpc/11583>as>null url:null doi:https://doi.org/10.14469/hpc/11583] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 1H, 13C, HMQC 10.14469/hpc/10386>C>11395>C>11578>C>11583>D>R [IFDReference 295 https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=3>as>40-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=3 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11583>D>R [IFDReference 294 https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=2>as>40-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=2 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11583>D>R [IFDReference 296 https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=4>as>40-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=4 doi:null] @@ -249,7 +249,7 @@ 10.14469/hpc/10386>C>11395>C>11578>C>11583>D>R [IFDReference 304 https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=12>as>40.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=12 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11583>D>R [IFDReference 300 https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=8>as>40.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=8 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11583>D>R [IFDReference 303 https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=11>as>40.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11583&file=11 doi:null] -10.14469/hpc/10386>C>11395>C>11578>C>11585> [IFDReference 305 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11585>as>10.14469_hpc_11585.xml url:null doi:https://doi.org/10.14469/hpc/11585] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 1H, 13C, HMBC +10.14469/hpc/10386>C>11395>C>11578>C>11585> [IFDReference 305 https://doi.org/10.14469/hpc/11585>as>null url:null doi:https://doi.org/10.14469/hpc/11585] NMR Data for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40), 1H, 13C, HMBC 10.14469/hpc/10386>C>11395>C>11578>C>11585>D>R [IFDReference 308 https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=3>as>40-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=3 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11585>D>R [IFDReference 307 https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=2>as>40-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=2 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11585>D>R [IFDReference 309 https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=4>as>40-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=4 doi:null] @@ -257,13 +257,13 @@ 10.14469/hpc/10386>C>11395>C>11578>C>11585>D>R [IFDReference 316 https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=11>as>40.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=11 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11585>D>R [IFDReference 312 https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=7>as>40.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=7 doi:null] 10.14469/hpc/10386>C>11395>C>11578>C>11585>D>R [IFDReference 315 https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=10>as>40.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11585&file=10 doi:null] -10.14469/hpc/10386>C>11395>C>11577> [IFDReference 317 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11577>as>10.14469_hpc_11577.xml url:null doi:https://doi.org/10.14469/hpc/11577] IR Data for Compound 40. +10.14469/hpc/10386>C>11395>C>11577> [IFDReference 317 https://doi.org/10.14469/hpc/11577>as>null url:null doi:https://doi.org/10.14469/hpc/11577] IR Data for Compound 40. 10.14469/hpc/10386>C>11395>C>11577>D>R [IFDReference 324 https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=7>as>40-v3.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=7 doi:null] 10.14469/hpc/10386>C>11395>C>11577>D>R [IFDReference 325 https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=8>as>40.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=8 doi:null] 10.14469/hpc/10386>C>11395>C>11577>D>R [IFDReference 323 https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=6>as>40.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=6 doi:null] 10.14469/hpc/10386>C>11395>C>11577>D>R [IFDReference 319 https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=2>as>40.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=2 doi:null] 10.14469/hpc/10386>C>11395>C>11577>D>R [IFDReference 318 https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=1>as>TM-VI-158_2021-11-24T14-59-16.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11577&file=1 doi:null] -10.14469/hpc/10386>C>11395>C>11416> [IFDReference 326 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11416>as>10.14469_hpc_11416.xml url:null doi:https://doi.org/10.14469/hpc/11416] Crystal structure data for Compound 40. Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium +10.14469/hpc/10386>C>11395>C>11416> [IFDReference 326 https://doi.org/10.14469/hpc/11416>as>null url:null doi:https://doi.org/10.14469/hpc/11416] Crystal structure data for Compound 40. Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium 10.14469/hpc/10386>C>11395>C>11416>D>R [IFDReference 332 https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=6>as>40.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=6 doi:null] 10.14469/hpc/10386>C>11395>C>11416>D>R [IFDReference 333 https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=7>as>40.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=7 doi:null] 10.14469/hpc/10386>C>11395>C>11416>D>R [IFDReference 328 https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=2>as>AB2130.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=2 doi:null] @@ -271,16 +271,16 @@ 10.14469/hpc/10386>C>11395>C>11416>D>R [IFDReference 327 https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=1>as>AB2130.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=1 doi:null] 10.14469/hpc/10386>C>11395>C>11416>D>R [IFDReference 330 https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=4>as>AB2130.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=4 doi:null] 10.14469/hpc/10386>C>11395>C>11416>D>R [IFDReference 331 https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=5>as>AB2130.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11416&file=5 doi:null] -10.14469/hpc/10386>C>11395>C>11416>D>ccdc.csd.cc2d6q9n> [IFDReference 334 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6q9n>as>10.5517_ccdc.csd.cc2d6q9n.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q9n] CCDC 2210991: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11343> [IFDReference 335 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11343>as>10.14469_hpc_11343.xml url:null doi:https://doi.org/10.14469/hpc/11343] Compound 19: bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium +10.14469/hpc/10386>C>11395>C>11416>D>ccdc.csd.cc2d6q9n> [IFDReference 334 https://doi.org/10.5517/ccdc.csd.cc2d6q9n>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q9n] CCDC 2210991: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11343> [IFDReference 335 https://doi.org/10.14469/hpc/11343>as>null url:null doi:https://doi.org/10.14469/hpc/11343] Compound 19: bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium 10.14469/hpc/10386>C>11343>C>R [IFDReference 336 https://data.hpc.imperial.ac.uk/resolve/?doi=11343&file=1>as>19.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11343&file=1 doi:null] -10.14469/hpc/10386>C>11343>C>11498> [IFDReference 337 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11498>as>10.14469_hpc_11498.xml url:null doi:https://doi.org/10.14469/hpc/11498] IR data for Compound 19. +10.14469/hpc/10386>C>11343>C>11498> [IFDReference 337 https://doi.org/10.14469/hpc/11498>as>null url:null doi:https://doi.org/10.14469/hpc/11498] IR data for Compound 19. 10.14469/hpc/10386>C>11343>C>11498>D>R [IFDReference 342 https://data.hpc.imperial.ac.uk/resolve/?doi=11498&file=5>as>19.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11498&file=5 doi:null] 10.14469/hpc/10386>C>11343>C>11498>D>R [IFDReference 344 https://data.hpc.imperial.ac.uk/resolve/?doi=11498&file=7>as>19.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11498&file=7 doi:null] 10.14469/hpc/10386>C>11343>C>11498>D>R [IFDReference 343 https://data.hpc.imperial.ac.uk/resolve/?doi=11498&file=6>as>19.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11498&file=6 doi:null] 10.14469/hpc/10386>C>11343>C>11498>D>R [IFDReference 338 https://data.hpc.imperial.ac.uk/resolve/?doi=11498&file=1>as>TM-VI-108solid_2021-10-06T16-15-46.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11498&file=1 doi:null] -10.14469/hpc/10386>C>11343>C>11499> [IFDReference 345 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11499>as>10.14469_hpc_11499.xml url:null doi:https://doi.org/10.14469/hpc/11499] NMR Data for Compound 19. -10.14469/hpc/10386>C>11343>C>11499>C>11500> [IFDReference 346 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11500>as>10.14469_hpc_11500.xml url:null doi:https://doi.org/10.14469/hpc/11500] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (19), 1H, 13C, HSQC +10.14469/hpc/10386>C>11343>C>11499> [IFDReference 345 https://doi.org/10.14469/hpc/11499>as>null url:null doi:https://doi.org/10.14469/hpc/11499] NMR Data for Compound 19. +10.14469/hpc/10386>C>11343>C>11499>C>11500> [IFDReference 346 https://doi.org/10.14469/hpc/11500>as>null url:null doi:https://doi.org/10.14469/hpc/11500] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (19), 1H, 13C, HSQC 10.14469/hpc/10386>C>11343>C>11499>C>11500>D>R [IFDReference 349 https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=3>as>19-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=3 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11500>D>R [IFDReference 348 https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=2>as>19-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=2 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11500>D>R [IFDReference 347 https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=1>as>19-hsqc.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=1 doi:null] @@ -288,7 +288,7 @@ 10.14469/hpc/10386>C>11343>C>11499>C>11500>D>R [IFDReference 355 https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=9>as>19.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=9 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11500>D>R [IFDReference 350 https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=4>as>19.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=4 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11500>D>R [IFDReference 354 https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=8>as>19.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11500&file=8 doi:null] -10.14469/hpc/10386>C>11343>C>11499>C>11501> [IFDReference 356 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11501>as>10.14469_hpc_11501.xml url:null doi:https://doi.org/10.14469/hpc/11501] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (19), 1H, 13C, HMBC +10.14469/hpc/10386>C>11343>C>11499>C>11501> [IFDReference 356 https://doi.org/10.14469/hpc/11501>as>null url:null doi:https://doi.org/10.14469/hpc/11501] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (19), 1H, 13C, HMBC 10.14469/hpc/10386>C>11343>C>11499>C>11501>D>R [IFDReference 358 https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=2>as>19-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=2 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11501>D>R [IFDReference 357 https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=1>as>19-hmbc.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=1 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11501>D>R [IFDReference 363 https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=7>as>19.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=7 doi:null] @@ -296,7 +296,7 @@ 10.14469/hpc/10386>C>11343>C>11499>C>11501>D>R [IFDReference 365 https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=9>as>19.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=9 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11501>D>R [IFDReference 360 https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=4>as>19.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=4 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11501>D>R [IFDReference 364 https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=8>as>19.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11501&file=8 doi:null] -10.14469/hpc/10386>C>11343>C>11499>C>11502> [IFDReference 366 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11502>as>10.14469_hpc_11502.xml url:null doi:https://doi.org/10.14469/hpc/11502] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (19), 13C +10.14469/hpc/10386>C>11343>C>11499>C>11502> [IFDReference 366 https://doi.org/10.14469/hpc/11502>as>null url:null doi:https://doi.org/10.14469/hpc/11502] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (19), 13C 10.14469/hpc/10386>C>11343>C>11499>C>11502>D>R [IFDReference 367 https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=1>as>19-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=1 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11502>D>R [IFDReference 368 https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=2>as>19-1H.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=2 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11502>D>R [IFDReference 373 https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=7>as>19.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=7 doi:null] @@ -304,7 +304,7 @@ 10.14469/hpc/10386>C>11343>C>11499>C>11502>D>R [IFDReference 375 https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=9>as>19.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=9 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11502>D>R [IFDReference 370 https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=4>as>19.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=4 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11502>D>R [IFDReference 374 https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=8>as>19.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11502&file=8 doi:null] -10.14469/hpc/10386>C>11343>C>11499>C>11503> [IFDReference 376 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11503>as>10.14469_hpc_11503.xml url:null doi:https://doi.org/10.14469/hpc/11503] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (19), 1H +10.14469/hpc/10386>C>11343>C>11499>C>11503> [IFDReference 376 https://doi.org/10.14469/hpc/11503>as>null url:null doi:https://doi.org/10.14469/hpc/11503] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (19), 1H 10.14469/hpc/10386>C>11343>C>11499>C>11503>D>R [IFDReference 378 https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=2>as>19-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=2 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11503>D>R [IFDReference 377 https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=1>as>19-13C.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=1 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11503>D>R [IFDReference 383 https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=7>as>19.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=7 doi:null] @@ -312,16 +312,16 @@ 10.14469/hpc/10386>C>11343>C>11499>C>11503>D>R [IFDReference 385 https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=9>as>19.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=9 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11503>D>R [IFDReference 380 https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=4>as>19.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=4 doi:null] 10.14469/hpc/10386>C>11343>C>11499>C>11503>D>R [IFDReference 384 https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=8>as>19.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11503&file=8 doi:null] -10.14469/hpc/10386>C>11343>C>11346> [IFDReference 386 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11346>as>10.14469_hpc_11346.xml url:null doi:https://doi.org/10.14469/hpc/11346] Crystal structure data for Compound 19. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium +10.14469/hpc/10386>C>11343>C>11346> [IFDReference 386 https://doi.org/10.14469/hpc/11346>as>null url:null doi:https://doi.org/10.14469/hpc/11346] Crystal structure data for Compound 19. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium 10.14469/hpc/10386>C>11343>C>11346>D>R [IFDReference 390 https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=4>as>19.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=4 doi:null] 10.14469/hpc/10386>C>11343>C>11346>D>R [IFDReference 391 https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=5>as>19.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=5 doi:null] 10.14469/hpc/10386>C>11343>C>11346>D>R [IFDReference 388 https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=2>as>AB2119.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=2 doi:null] 10.14469/hpc/10386>C>11343>C>11346>D>R [IFDReference 387 https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=1>as>AB2119.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=1 doi:null] 10.14469/hpc/10386>C>11343>C>11346>D>R [IFDReference 389 https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=3>as>AB2119.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11346&file=3 doi:null] -10.14469/hpc/10386>C>11343>C>11346>D>ccdc.csd.cc2d6r9p> [IFDReference 392 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6r9p>as>10.5517_ccdc.csd.cc2d6r9p.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6r9p] CCDC 2211022: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11709> [IFDReference 393 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11709>as>10.14469_hpc_11709.xml url:null doi:https://doi.org/10.14469/hpc/11709] Compound 8: Ethyl 2-(4-Methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate -10.14469/hpc/10386>C>11709>C>11828> [IFDReference 394 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11828>as>10.14469_hpc_11828.xml url:null doi:https://doi.org/10.14469/hpc/11828] NMR Data for Compound 8. -10.14469/hpc/10386>C>11709>C>11828>C>11840> [IFDReference 395 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11840>as>10.14469_hpc_11840.xml url:null doi:https://doi.org/10.14469/hpc/11840] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 1H, CD3OD +10.14469/hpc/10386>C>11343>C>11346>D>ccdc.csd.cc2d6r9p> [IFDReference 392 https://doi.org/10.5517/ccdc.csd.cc2d6r9p>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6r9p] CCDC 2211022: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11709> [IFDReference 393 https://doi.org/10.14469/hpc/11709>as>null url:null doi:https://doi.org/10.14469/hpc/11709] Compound 8: Ethyl 2-(4-Methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate +10.14469/hpc/10386>C>11709>C>11828> [IFDReference 394 https://doi.org/10.14469/hpc/11828>as>null url:null doi:https://doi.org/10.14469/hpc/11828] NMR Data for Compound 8. +10.14469/hpc/10386>C>11709>C>11828>C>11840> [IFDReference 395 https://doi.org/10.14469/hpc/11840>as>null url:null doi:https://doi.org/10.14469/hpc/11840] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 1H, CD3OD 10.14469/hpc/10386>C>11709>C>11828>C>11840>D>R [IFDReference 398 https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=3>as>8-1H in CD3OD.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=3 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11840>D>R [IFDReference 397 https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=2>as>8-1H in CD3OD.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=2 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11840>D>R [IFDReference 399 https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=4>as>8-1H in CD3OD.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=4 doi:null] @@ -329,7 +329,7 @@ 10.14469/hpc/10386>C>11709>C>11828>C>11840>D>R [IFDReference 403 https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=8>as>8.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=8 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11840>D>R [IFDReference 404 https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=9>as>8.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=9 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11840>D>R [IFDReference 405 https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=10>as>8.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11840&file=10 doi:null] -10.14469/hpc/10386>C>11709>C>11828>C>11842> [IFDReference 406 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11842>as>10.14469_hpc_11842.xml url:null doi:https://doi.org/10.14469/hpc/11842] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 13C, CD3OD +10.14469/hpc/10386>C>11709>C>11828>C>11842> [IFDReference 406 https://doi.org/10.14469/hpc/11842>as>null url:null doi:https://doi.org/10.14469/hpc/11842] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 13C, CD3OD 10.14469/hpc/10386>C>11709>C>11828>C>11842>D>R [IFDReference 409 https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=3>as>8-13C in CD3OD.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=3 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11842>D>R [IFDReference 408 https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=2>as>8-13C in CD3OD.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=2 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11842>D>R [IFDReference 410 https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=4>as>8-13C in CD3OD.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=4 doi:null] @@ -337,7 +337,7 @@ 10.14469/hpc/10386>C>11709>C>11828>C>11842>D>R [IFDReference 414 https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=8>as>8.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=8 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11842>D>R [IFDReference 416 https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=10>as>8.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=10 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11842>D>R [IFDReference 415 https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=9>as>8.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11842&file=9 doi:null] -10.14469/hpc/10386>C>11709>C>11828>C>11843> [IFDReference 417 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11843>as>10.14469_hpc_11843.xml url:null doi:https://doi.org/10.14469/hpc/11843] NMR Data forethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 1H, 13C, HMBC +10.14469/hpc/10386>C>11709>C>11828>C>11843> [IFDReference 417 https://doi.org/10.14469/hpc/11843>as>null url:null doi:https://doi.org/10.14469/hpc/11843] NMR Data forethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 1H, 13C, HMBC 10.14469/hpc/10386>C>11709>C>11828>C>11843>D>R [IFDReference 420 https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=3>as>8-hmbc in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=3 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11843>D>R [IFDReference 419 https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=2>as>8-hmbc in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=2 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11843>D>R [IFDReference 421 https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=4>as>8-hmbc in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=4 doi:null] @@ -345,7 +345,7 @@ 10.14469/hpc/10386>C>11709>C>11828>C>11843>D>R [IFDReference 425 https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=8>as>8.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=8 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11843>D>R [IFDReference 427 https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=10>as>8.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=10 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11843>D>R [IFDReference 426 https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=9>as>8.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11843&file=9 doi:null] -10.14469/hpc/10386>C>11709>C>11828>C>11839> [IFDReference 428 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11839>as>10.14469_hpc_11839.xml url:null doi:https://doi.org/10.14469/hpc/11839] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 1H, CDCl3 +10.14469/hpc/10386>C>11709>C>11828>C>11839> [IFDReference 428 https://doi.org/10.14469/hpc/11839>as>null url:null doi:https://doi.org/10.14469/hpc/11839] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 1H, CDCl3 10.14469/hpc/10386>C>11709>C>11828>C>11839>D>R [IFDReference 431 https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=3>as>8-1H in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=3 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11839>D>R [IFDReference 430 https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=2>as>8-1H in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=2 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11839>D>R [IFDReference 432 https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=4>as>8-1H in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=4 doi:null] @@ -353,7 +353,7 @@ 10.14469/hpc/10386>C>11709>C>11828>C>11839>D>R [IFDReference 442 https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=14>as>8.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=14 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11839>D>R [IFDReference 444 https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=16>as>8.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=16 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11839>D>R [IFDReference 443 https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=15>as>8.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11839&file=15 doi:null] -10.14469/hpc/10386>C>11709>C>11828>C>11841> [IFDReference 445 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11841>as>10.14469_hpc_11841.xml url:null doi:https://doi.org/10.14469/hpc/11841] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 13C, CDCl3 +10.14469/hpc/10386>C>11709>C>11828>C>11841> [IFDReference 445 https://doi.org/10.14469/hpc/11841>as>null url:null doi:https://doi.org/10.14469/hpc/11841] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8), 13C, CDCl3 10.14469/hpc/10386>C>11709>C>11828>C>11841>D>R [IFDReference 448 https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=3>as>8-13C in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=3 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11841>D>R [IFDReference 447 https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=2>as>8-13C in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=2 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11841>D>R [IFDReference 449 https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=4>as>8-13C in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=4 doi:null] @@ -361,7 +361,7 @@ 10.14469/hpc/10386>C>11709>C>11828>C>11841>D>R [IFDReference 453 https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=8>as>8.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=8 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11841>D>R [IFDReference 455 https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=10>as>8.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=10 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11841>D>R [IFDReference 454 https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=9>as>8.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11841&file=9 doi:null] -10.14469/hpc/10386>C>11709>C>11828>C>11844> [IFDReference 456 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11844>as>10.14469_hpc_11844.xml url:null doi:https://doi.org/10.14469/hpc/11844] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8). 1H, 13C, HMQC +10.14469/hpc/10386>C>11709>C>11828>C>11844> [IFDReference 456 https://doi.org/10.14469/hpc/11844>as>null url:null doi:https://doi.org/10.14469/hpc/11844] NMR Data for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (8). 1H, 13C, HMQC 10.14469/hpc/10386>C>11709>C>11828>C>11844>D>R [IFDReference 459 https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=3>as>8-hsqc in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=3 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11844>D>R [IFDReference 458 https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=2>as>8-hsqc in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=2 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11844>D>R [IFDReference 460 https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=4>as>8-hsqc in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=4 doi:null] @@ -369,20 +369,20 @@ 10.14469/hpc/10386>C>11709>C>11828>C>11844>D>R [IFDReference 464 https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=8>as>8.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=8 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11844>D>R [IFDReference 466 https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=10>as>8.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=10 doi:null] 10.14469/hpc/10386>C>11709>C>11828>C>11844>D>R [IFDReference 465 https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=9>as>8.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11844&file=9 doi:null] -10.14469/hpc/10386>C>11709>C>11833> [IFDReference 467 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11833>as>10.14469_hpc_11833.xml url:null doi:https://doi.org/10.14469/hpc/11833] IR Data for Compound 8. +10.14469/hpc/10386>C>11709>C>11833> [IFDReference 467 https://doi.org/10.14469/hpc/11833>as>null url:null doi:https://doi.org/10.14469/hpc/11833] IR Data for Compound 8. 10.14469/hpc/10386>C>11709>C>11833>D>R [IFDReference 470 https://data.hpc.imperial.ac.uk/resolve/?doi=11833&file=3>as>8.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11833&file=3 doi:null] 10.14469/hpc/10386>C>11709>C>11833>D>R [IFDReference 468 https://data.hpc.imperial.ac.uk/resolve/?doi=11833&file=1>as>TM-VI-15x, PMB-pyr_2022-07-19T10-53-22.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11833&file=1 doi:null] -10.14469/hpc/10386>C>11743> [IFDReference 471 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11743>as>10.14469_hpc_11743.xml url:null doi:https://doi.org/10.14469/hpc/11743] Compound 67: Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)dysprosium +10.14469/hpc/10386>C>11743> [IFDReference 471 https://doi.org/10.14469/hpc/11743>as>null url:null doi:https://doi.org/10.14469/hpc/11743] Compound 67: Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)dysprosium 10.14469/hpc/10386>C>11743>C>R [IFDReference 472 https://data.hpc.imperial.ac.uk/resolve/?doi=11743&file=1>as>67.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11743&file=1 doi:null] 10.14469/hpc/10386>C>11743>C>R [IFDReference 474 https://data.hpc.imperial.ac.uk/resolve/?doi=11743&file=3>as>67.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11743&file=3 doi:null] 10.14469/hpc/10386>C>11743>C>R [IFDReference 473 https://data.hpc.imperial.ac.uk/resolve/?doi=11743&file=2>as>67.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11743&file=2 doi:null] -10.14469/hpc/10386>C>11712> [IFDReference 475 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11712>as>10.14469_hpc_11712.xml url:null doi:https://doi.org/10.14469/hpc/11712] Compound 13: (4-Benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium +10.14469/hpc/10386>C>11712> [IFDReference 475 https://doi.org/10.14469/hpc/11712>as>null url:null doi:https://doi.org/10.14469/hpc/11712] Compound 13: (4-Benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium 10.14469/hpc/10386>C>11712>C>R [IFDReference 477 https://data.hpc.imperial.ac.uk/resolve/?doi=11712&file=2>as>13.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11712&file=2 doi:null] 10.14469/hpc/10386>C>11712>C>R [IFDReference 479 https://data.hpc.imperial.ac.uk/resolve/?doi=11712&file=4>as>13.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11712&file=4 doi:null] 10.14469/hpc/10386>C>11712>C>R [IFDReference 478 https://data.hpc.imperial.ac.uk/resolve/?doi=11712&file=3>as>13.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11712&file=3 doi:null] -10.14469/hpc/10386>C>11376> [IFDReference 480 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11376>as>10.14469_hpc_11376.xml url:null doi:https://doi.org/10.14469/hpc/11376] Compound 39: Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium -10.14469/hpc/10386>C>11376>C>11587> [IFDReference 481 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11587>as>10.14469_hpc_11587.xml url:null doi:https://doi.org/10.14469/hpc/11587] NMR Data for Compound 39. -10.14469/hpc/10386>C>11376>C>11587>C>11588> [IFDReference 482 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11588>as>10.14469_hpc_11588.xml url:null doi:https://doi.org/10.14469/hpc/11588] NMR Data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 1H +10.14469/hpc/10386>C>11376> [IFDReference 480 https://doi.org/10.14469/hpc/11376>as>null url:null doi:https://doi.org/10.14469/hpc/11376] Compound 39: Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium +10.14469/hpc/10386>C>11376>C>11587> [IFDReference 481 https://doi.org/10.14469/hpc/11587>as>null url:null doi:https://doi.org/10.14469/hpc/11587] NMR Data for Compound 39. +10.14469/hpc/10386>C>11376>C>11587>C>11588> [IFDReference 482 https://doi.org/10.14469/hpc/11588>as>null url:null doi:https://doi.org/10.14469/hpc/11588] NMR Data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 1H 10.14469/hpc/10386>C>11376>C>11587>C>11588>D>R [IFDReference 485 https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=3>as>39-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=3 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11588>D>R [IFDReference 484 https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=2>as>39-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=2 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11588>D>R [IFDReference 486 https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=4>as>39-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=4 doi:null] @@ -390,7 +390,7 @@ 10.14469/hpc/10386>C>11376>C>11587>C>11588>D>R [IFDReference 488 https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=6>as>39.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=6 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11588>D>R [IFDReference 489 https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=7>as>39.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=7 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11588>D>R [IFDReference 487 https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=5>as>39.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11588&file=5 doi:null] -10.14469/hpc/10386>C>11376>C>11587>C>11591> [IFDReference 490 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11591>as>10.14469_hpc_11591.xml url:null doi:https://doi.org/10.14469/hpc/11591] NMR Data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 1H, 13C, HMQC +10.14469/hpc/10386>C>11376>C>11587>C>11591> [IFDReference 490 https://doi.org/10.14469/hpc/11591>as>null url:null doi:https://doi.org/10.14469/hpc/11591] NMR Data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 1H, 13C, HMQC 10.14469/hpc/10386>C>11376>C>11587>C>11591>D>R [IFDReference 493 https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=3>as>39-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=3 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11591>D>R [IFDReference 492 https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=2>as>39-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=2 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11591>D>R [IFDReference 494 https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=4>as>39-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=4 doi:null] @@ -398,7 +398,7 @@ 10.14469/hpc/10386>C>11376>C>11587>C>11591>D>R [IFDReference 496 https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=6>as>39.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=6 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11591>D>R [IFDReference 497 https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=7>as>39.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=7 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11591>D>R [IFDReference 495 https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=5>as>39.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11591&file=5 doi:null] -10.14469/hpc/10386>C>11376>C>11587>C>11589> [IFDReference 498 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11589>as>10.14469_hpc_11589.xml url:null doi:https://doi.org/10.14469/hpc/11589] NMR Data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 13C +10.14469/hpc/10386>C>11376>C>11587>C>11589> [IFDReference 498 https://doi.org/10.14469/hpc/11589>as>null url:null doi:https://doi.org/10.14469/hpc/11589] NMR Data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 13C 10.14469/hpc/10386>C>11376>C>11587>C>11589>D>R [IFDReference 501 https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=3>as>39-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=3 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11589>D>R [IFDReference 500 https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=2>as>39-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=2 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11589>D>R [IFDReference 502 https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=4>as>39-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=4 doi:null] @@ -406,7 +406,7 @@ 10.14469/hpc/10386>C>11376>C>11587>C>11589>D>R [IFDReference 504 https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=6>as>39.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=6 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11589>D>R [IFDReference 505 https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=7>as>39.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=7 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11589>D>R [IFDReference 503 https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=5>as>39.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11589&file=5 doi:null] -10.14469/hpc/10386>C>11376>C>11587>C>11590> [IFDReference 506 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11590>as>10.14469_hpc_11590.xml url:null doi:https://doi.org/10.14469/hpc/11590] NMR Data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 1H, COSY +10.14469/hpc/10386>C>11376>C>11587>C>11590> [IFDReference 506 https://doi.org/10.14469/hpc/11590>as>null url:null doi:https://doi.org/10.14469/hpc/11590] NMR Data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 1H, COSY 10.14469/hpc/10386>C>11376>C>11587>C>11590>D>R [IFDReference 509 https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=3>as>39-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=3 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11590>D>R [IFDReference 508 https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=2>as>39-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=2 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11590>D>R [IFDReference 510 https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=4>as>39-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=4 doi:null] @@ -414,7 +414,7 @@ 10.14469/hpc/10386>C>11376>C>11587>C>11590>D>R [IFDReference 512 https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=6>as>39.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=6 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11590>D>R [IFDReference 513 https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=7>as>39.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=7 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11590>D>R [IFDReference 511 https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=5>as>39.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11590&file=5 doi:null] -10.14469/hpc/10386>C>11376>C>11587>C>11592> [IFDReference 514 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11592>as>10.14469_hpc_11592.xml url:null doi:https://doi.org/10.14469/hpc/11592] NMR data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 1H, 13C, HMBC +10.14469/hpc/10386>C>11376>C>11587>C>11592> [IFDReference 514 https://doi.org/10.14469/hpc/11592>as>null url:null doi:https://doi.org/10.14469/hpc/11592] NMR data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 1H, 13C, HMBC 10.14469/hpc/10386>C>11376>C>11587>C>11592>D>R [IFDReference 517 https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=3>as>39-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=3 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11592>D>R [IFDReference 516 https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=2>as>39-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=2 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11592>D>R [IFDReference 518 https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=4>as>39-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=4 doi:null] @@ -422,13 +422,13 @@ 10.14469/hpc/10386>C>11376>C>11587>C>11592>D>R [IFDReference 520 https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=6>as>39.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=6 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11592>D>R [IFDReference 521 https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=7>as>39.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=7 doi:null] 10.14469/hpc/10386>C>11376>C>11587>C>11592>D>R [IFDReference 519 https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=5>as>39.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11592&file=5 doi:null] -10.14469/hpc/10386>C>11376>C>11586> [IFDReference 522 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11586>as>10.14469_hpc_11586.xml url:null doi:https://doi.org/10.14469/hpc/11586] IR Data for Compound 39. +10.14469/hpc/10386>C>11376>C>11586> [IFDReference 522 https://doi.org/10.14469/hpc/11586>as>null url:null doi:https://doi.org/10.14469/hpc/11586] IR Data for Compound 39. 10.14469/hpc/10386>C>11376>C>11586>D>R [IFDReference 524 https://data.hpc.imperial.ac.uk/resolve/?doi=11586&file=2>as>39.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11586&file=2 doi:null] 10.14469/hpc/10386>C>11376>C>11586>D>R [IFDReference 526 https://data.hpc.imperial.ac.uk/resolve/?doi=11586&file=4>as>39.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11586&file=4 doi:null] 10.14469/hpc/10386>C>11376>C>11586>D>R [IFDReference 525 https://data.hpc.imperial.ac.uk/resolve/?doi=11586&file=3>as>39.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11586&file=3 doi:null] 10.14469/hpc/10386>C>11376>C>11586>D>R [IFDReference 523 https://data.hpc.imperial.ac.uk/resolve/?doi=11586&file=1>as>TM-VI-156_2021-11-10T17-10-21.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11586&file=1 doi:null] -10.14469/hpc/10386>C>11376>C>11377> [IFDReference 527 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11377>as>10.14469_hpc_11377.xml url:null doi:https://doi.org/10.14469/hpc/11377] Primary Crystal data for Compound 39. Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium -10.14469/hpc/10386>C>11376>C>11377>>11394> [IFDReference 528 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11394>as>10.14469_hpc_11394.xml url:null doi:https://doi.org/10.14469/hpc/11394] Primary crystal structure data for Compound 39b. Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium +10.14469/hpc/10386>C>11376>C>11377> [IFDReference 527 https://doi.org/10.14469/hpc/11377>as>null url:null doi:https://doi.org/10.14469/hpc/11377] Primary Crystal data for Compound 39. Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium +10.14469/hpc/10386>C>11376>C>11377>>11394> [IFDReference 528 https://doi.org/10.14469/hpc/11394>as>null url:null doi:https://doi.org/10.14469/hpc/11394] Primary crystal structure data for Compound 39b. Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium 10.14469/hpc/10386>C>11376>C>11377>>11394>D>R [IFDReference 538 https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=10>as>39.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=10 doi:null] 10.14469/hpc/10386>C>11376>C>11377>>11394>D>R [IFDReference 539 https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=11>as>39.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=11 doi:null] 10.14469/hpc/10386>C>11376>C>11377>>11394>D>R [IFDReference 530 https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=2>as>AB2146.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=2 doi:null] @@ -440,8 +440,8 @@ 10.14469/hpc/10386>C>11376>C>11377>>11394>D>R [IFDReference 535 https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=7>as>AB2146.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=7 doi:null] 10.14469/hpc/10386>C>11376>C>11377>>11394>D>R [IFDReference 536 https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=8>as>AB2146.zip.003 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=8 doi:null] 10.14469/hpc/10386>C>11376>C>11377>>11394>D>R [IFDReference 537 https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=9>as>AB2146.zip.004 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11394&file=9 doi:null] -10.14469/hpc/10386>C>11376>C>11377>>11394>D>ccdc.csd.cc2d6q7l> [IFDReference 540 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6q7l>as>10.5517_ccdc.csd.cc2d6q7l.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q7l] CCDC 2210989: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11376>C>11377>>11393> [IFDReference 541 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11393>as>10.14469_hpc_11393.xml url:null doi:https://doi.org/10.14469/hpc/11393] Primary crystal structure data for Compound 39. Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium +10.14469/hpc/10386>C>11376>C>11377>>11394>D>ccdc.csd.cc2d6q7l> [IFDReference 540 https://doi.org/10.5517/ccdc.csd.cc2d6q7l>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q7l] CCDC 2210989: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11376>C>11377>>11393> [IFDReference 541 https://doi.org/10.14469/hpc/11393>as>null url:null doi:https://doi.org/10.14469/hpc/11393] Primary crystal structure data for Compound 39. Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium 10.14469/hpc/10386>C>11376>C>11377>>11393>D>R [IFDReference 543 https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=2>as>AB2143.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=2 doi:null] 10.14469/hpc/10386>C>11376>C>11377>>11393>D>R [IFDReference 544 https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=3>as>AB2143.7z.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=3 doi:null] 10.14469/hpc/10386>C>11376>C>11377>>11393>D>R [IFDReference 545 https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=4>as>AB2143.7z.003 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=4 doi:null] @@ -449,9 +449,9 @@ 10.14469/hpc/10386>C>11376>C>11377>>11393>D>R [IFDReference 546 https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=5>as>AB2143.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=5 doi:null] 10.14469/hpc/10386>C>11376>C>11377>>11393>D>R [IFDReference 547 https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=6>as>AB2143.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=6 doi:null] 10.14469/hpc/10386>C>11376>C>11377>>11393>D>R [IFDReference 548 https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=7>as>AB2143.zip.003 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11393&file=7 doi:null] -10.14469/hpc/10386>C>11339> [IFDReference 549 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11339>as>10.14469_hpc_11339.xml url:null doi:https://doi.org/10.14469/hpc/11339] Compound 18: Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium -10.14469/hpc/10386>C>11339>C>11515> [IFDReference 550 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11515>as>10.14469_hpc_11515.xml url:null doi:https://doi.org/10.14469/hpc/11515] NMR Data for Compound 18. -10.14469/hpc/10386>C>11339>C>11515>C>11517> [IFDReference 551 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11517>as>10.14469_hpc_11517.xml url:null doi:https://doi.org/10.14469/hpc/11517] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18), 1H +10.14469/hpc/10386>C>11339> [IFDReference 549 https://doi.org/10.14469/hpc/11339>as>null url:null doi:https://doi.org/10.14469/hpc/11339] Compound 18: Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11339>C>11515> [IFDReference 550 https://doi.org/10.14469/hpc/11515>as>null url:null doi:https://doi.org/10.14469/hpc/11515] NMR Data for Compound 18. +10.14469/hpc/10386>C>11339>C>11515>C>11517> [IFDReference 551 https://doi.org/10.14469/hpc/11517>as>null url:null doi:https://doi.org/10.14469/hpc/11517] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18), 1H 10.14469/hpc/10386>C>11339>C>11515>C>11517>D>R [IFDReference 555 https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=4>as>18-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=4 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11517>D>R [IFDReference 554 https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=3>as>18-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=3 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11517>D>R [IFDReference 556 https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=5>as>18-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=5 doi:null] @@ -459,7 +459,7 @@ 10.14469/hpc/10386>C>11339>C>11515>C>11517>D>R [IFDReference 558 https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=7>as>18.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=7 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11517>D>R [IFDReference 559 https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=8>as>18.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=8 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11517>D>R [IFDReference 557 https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=6>as>18.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11517&file=6 doi:null] -10.14469/hpc/10386>C>11339>C>11515>C>11518> [IFDReference 560 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11518>as>10.14469_hpc_11518.xml url:null doi:https://doi.org/10.14469/hpc/11518] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18), 13C +10.14469/hpc/10386>C>11339>C>11515>C>11518> [IFDReference 560 https://doi.org/10.14469/hpc/11518>as>null url:null doi:https://doi.org/10.14469/hpc/11518] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18), 13C 10.14469/hpc/10386>C>11339>C>11515>C>11518>D>R [IFDReference 563 https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=3>as>18-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=3 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11518>D>R [IFDReference 562 https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=2>as>18-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=2 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11518>D>R [IFDReference 564 https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=4>as>18-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=4 doi:null] @@ -467,7 +467,7 @@ 10.14469/hpc/10386>C>11339>C>11515>C>11518>D>R [IFDReference 566 https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=6>as>18.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=6 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11518>D>R [IFDReference 567 https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=7>as>18.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=7 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11518>D>R [IFDReference 565 https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=5>as>18.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11518&file=5 doi:null] -10.14469/hpc/10386>C>11339>C>11515>C>11520> [IFDReference 568 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11520>as>10.14469_hpc_11520.xml url:null doi:https://doi.org/10.14469/hpc/11520] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18), 1H, 13C, HMQC +10.14469/hpc/10386>C>11339>C>11515>C>11520> [IFDReference 568 https://doi.org/10.14469/hpc/11520>as>null url:null doi:https://doi.org/10.14469/hpc/11520] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18), 1H, 13C, HMQC 10.14469/hpc/10386>C>11339>C>11515>C>11520>D>R [IFDReference 572 https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=4>as>18-HSQC.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=4 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11520>D>R [IFDReference 571 https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=3>as>18-JCAMP.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=3 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11520>D>R [IFDReference 569 https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=1>as>18-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=1 doi:null] @@ -475,19 +475,19 @@ 10.14469/hpc/10386>C>11339>C>11515>C>11520>D>R [IFDReference 574 https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=6>as>18.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=6 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11520>D>R [IFDReference 575 https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=7>as>18.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=7 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11520>D>R [IFDReference 573 https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=5>as>18.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11520&file=5 doi:null] -10.14469/hpc/10386>C>11339>C>11515>C>11519> [IFDReference 576 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11519>as>10.14469_hpc_11519.xml url:null doi:https://doi.org/10.14469/hpc/11519] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18), 1H, 13C, HMBC +10.14469/hpc/10386>C>11339>C>11515>C>11519> [IFDReference 576 https://doi.org/10.14469/hpc/11519>as>null url:null doi:https://doi.org/10.14469/hpc/11519] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18), 1H, 13C, HMBC 10.14469/hpc/10386>C>11339>C>11515>C>11519>D>R [IFDReference 579 https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=3>as>18-HMBC.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=3 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11519>D>R [IFDReference 580 https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=4>as>18-HMBC.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=4 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11519>D>R [IFDReference 578 https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=2>as>18-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=2 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11519>D>R [IFDReference 577 https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=1>as>18-hmbc.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=1 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11519>D>R [IFDReference 583 https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=7>as>18.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=7 doi:null] 10.14469/hpc/10386>C>11339>C>11515>C>11519>D>R [IFDReference 584 https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=8>as>18.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11519&file=8 doi:null] -10.14469/hpc/10386>C>11339>C>11516> [IFDReference 585 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11516>as>10.14469_hpc_11516.xml url:null doi:https://doi.org/10.14469/hpc/11516] IR data for Compound 18. +10.14469/hpc/10386>C>11339>C>11516> [IFDReference 585 https://doi.org/10.14469/hpc/11516>as>null url:null doi:https://doi.org/10.14469/hpc/11516] IR data for Compound 18. 10.14469/hpc/10386>C>11339>C>11516>D>R [IFDReference 587 https://data.hpc.imperial.ac.uk/resolve/?doi=11516&file=2>as>18.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11516&file=2 doi:null] 10.14469/hpc/10386>C>11339>C>11516>D>R [IFDReference 589 https://data.hpc.imperial.ac.uk/resolve/?doi=11516&file=4>as>18.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11516&file=4 doi:null] 10.14469/hpc/10386>C>11339>C>11516>D>R [IFDReference 588 https://data.hpc.imperial.ac.uk/resolve/?doi=11516&file=3>as>18.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11516&file=3 doi:null] 10.14469/hpc/10386>C>11339>C>11516>D>R [IFDReference 586 https://data.hpc.imperial.ac.uk/resolve/?doi=11516&file=1>as>TM-VI-106solid_2021-10-05T17-03-04.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11516&file=1 doi:null] -10.14469/hpc/10386>C>11339>C>11344> [IFDReference 590 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11344>as>10.14469_hpc_11344.xml url:null doi:https://doi.org/10.14469/hpc/11344] Crystal structure data for compound 18. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11339>C>11344> [IFDReference 590 https://doi.org/10.14469/hpc/11344>as>null url:null doi:https://doi.org/10.14469/hpc/11344] Crystal structure data for compound 18. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium 10.14469/hpc/10386>C>11339>C>11344>C>R [IFDReference 598 https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=8>as>18.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=8 doi:null] 10.14469/hpc/10386>C>11339>C>11344>C>R [IFDReference 599 https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=9>as>18.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=9 doi:null] 10.14469/hpc/10386>C>11339>C>11344>C>R [IFDReference 592 https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=2>as>AB2115.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=2 doi:null] @@ -497,10 +497,10 @@ 10.14469/hpc/10386>C>11339>C>11344>C>R [IFDReference 595 https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=5>as>AB2115.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=5 doi:null] 10.14469/hpc/10386>C>11339>C>11344>C>R [IFDReference 596 https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=6>as>AB2115.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=6 doi:null] 10.14469/hpc/10386>C>11339>C>11344>C>R [IFDReference 597 https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=7>as>AB2115.zip.003 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11344&file=7 doi:null] -10.14469/hpc/10386>C>11339>C>11344>C>ccdc.csd.cc2d6r8n> [IFDReference 600 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6r8n>as>10.5517_ccdc.csd.cc2d6r8n.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6r8n] CCDC 2211021: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11799> [IFDReference 601 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11799>as>10.14469_hpc_11799.xml url:null doi:https://doi.org/10.14469/hpc/11799] Compound 5: Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate -10.14469/hpc/10386>C>11799>C>11798> [IFDReference 602 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11798>as>10.14469_hpc_11798.xml url:null doi:https://doi.org/10.14469/hpc/11798] NMR Data for Compound 5. -10.14469/hpc/10386>C>11799>C>11798>C>11824> [IFDReference 603 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11824>as>10.14469_hpc_11824.xml url:null doi:https://doi.org/10.14469/hpc/11824] NMR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5), 13C, CD3OD +10.14469/hpc/10386>C>11339>C>11344>C>ccdc.csd.cc2d6r8n> [IFDReference 600 https://doi.org/10.5517/ccdc.csd.cc2d6r8n>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6r8n] CCDC 2211021: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11799> [IFDReference 601 https://doi.org/10.14469/hpc/11799>as>null url:null doi:https://doi.org/10.14469/hpc/11799] Compound 5: Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate +10.14469/hpc/10386>C>11799>C>11798> [IFDReference 602 https://doi.org/10.14469/hpc/11798>as>null url:null doi:https://doi.org/10.14469/hpc/11798] NMR Data for Compound 5. +10.14469/hpc/10386>C>11799>C>11798>C>11824> [IFDReference 603 https://doi.org/10.14469/hpc/11824>as>null url:null doi:https://doi.org/10.14469/hpc/11824] NMR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5), 13C, CD3OD 10.14469/hpc/10386>C>11799>C>11798>C>11824>D>R [IFDReference 606 https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=3>as>5-13C in CD3OD.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=3 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11824>D>R [IFDReference 605 https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=2>as>5-13C in CD3OD.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=2 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11824>D>R [IFDReference 607 https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=4>as>5-13C in CD3OD.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=4 doi:null] @@ -509,7 +509,7 @@ 10.14469/hpc/10386>C>11799>C>11798>C>11824>D>R [IFDReference 614 https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=11>as>5.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=11 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11824>D>R [IFDReference 612 https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=9>as>5.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=9 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11824>D>R [IFDReference 615 https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=12>as>5.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11824&file=12 doi:null] -10.14469/hpc/10386>C>11799>C>11798>C>11823> [IFDReference 617 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11823>as>10.14469_hpc_11823.xml url:null doi:https://doi.org/10.14469/hpc/11823] NMR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5), 1H, CD3OD +10.14469/hpc/10386>C>11799>C>11798>C>11823> [IFDReference 617 https://doi.org/10.14469/hpc/11823>as>null url:null doi:https://doi.org/10.14469/hpc/11823] NMR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5), 1H, CD3OD 10.14469/hpc/10386>C>11799>C>11798>C>11823>D>R [IFDReference 620 https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=3>as>5-1H in CD3OD.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=3 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11823>D>R [IFDReference 619 https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=2>as>5-1H in CD3OD.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=2 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11823>D>R [IFDReference 621 https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=4>as>5-1H in CD3OD.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=4 doi:null] @@ -517,7 +517,7 @@ 10.14469/hpc/10386>C>11799>C>11798>C>11823>D>R [IFDReference 627 https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=10>as>5.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=10 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11823>D>R [IFDReference 629 https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=12>as>5.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=12 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11823>D>R [IFDReference 628 https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=11>as>5.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11823&file=11 doi:null] -10.14469/hpc/10386>C>11799>C>11798>C>11825> [IFDReference 630 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11825>as>10.14469_hpc_11825.xml url:null doi:https://doi.org/10.14469/hpc/11825] NMR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5). 13C dmso-d6 +10.14469/hpc/10386>C>11799>C>11798>C>11825> [IFDReference 630 https://doi.org/10.14469/hpc/11825>as>null url:null doi:https://doi.org/10.14469/hpc/11825] NMR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5). 13C dmso-d6 10.14469/hpc/10386>C>11799>C>11798>C>11825>D>R [IFDReference 633 https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=3>as>5-13C in dmso-d6.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=3 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11825>D>R [IFDReference 634 https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=4>as>5-13C in dmso-d6.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=4 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11825>D>R [IFDReference 631 https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=1>as>5-13C in dmso-d6.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=1 doi:null] @@ -526,7 +526,7 @@ 10.14469/hpc/10386>C>11799>C>11798>C>11825>D>R [IFDReference 641 https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=11>as>5.jpeg url:https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=11 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11825>D>R [IFDReference 644 https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=14>as>5.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=14 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11825>D>R [IFDReference 643 https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=13>as>5.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11825&file=13 doi:null] -10.14469/hpc/10386>C>11799>C>11798>C>11822> [IFDReference 645 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11822>as>10.14469_hpc_11822.xml url:null doi:https://doi.org/10.14469/hpc/11822] NMR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5), 1H, dmso-d6 +10.14469/hpc/10386>C>11799>C>11798>C>11822> [IFDReference 645 https://doi.org/10.14469/hpc/11822>as>null url:null doi:https://doi.org/10.14469/hpc/11822] NMR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5), 1H, dmso-d6 10.14469/hpc/10386>C>11799>C>11798>C>11822>D>R [IFDReference 648 https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=3>as>5-1H in dmso-d6.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=3 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11822>D>R [IFDReference 647 https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=2>as>5-1H in dmso-d6.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=2 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11822>D>R [IFDReference 649 https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=4>as>5-1H in dmso-d6.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=4 doi:null] @@ -534,22 +534,22 @@ 10.14469/hpc/10386>C>11799>C>11798>C>11822>D>R [IFDReference 655 https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=10>as>5.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=10 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11822>D>R [IFDReference 657 https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=12>as>5.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=12 doi:null] 10.14469/hpc/10386>C>11799>C>11798>C>11822>D>R [IFDReference 656 https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=11>as>5.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11822&file=11 doi:null] -10.14469/hpc/10386>C>11799>C>11826> [IFDReference 658 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11826>as>10.14469_hpc_11826.xml url:null doi:https://doi.org/10.14469/hpc/11826] IR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5). +10.14469/hpc/10386>C>11799>C>11826> [IFDReference 658 https://doi.org/10.14469/hpc/11826>as>null url:null doi:https://doi.org/10.14469/hpc/11826] IR Data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5). 10.14469/hpc/10386>C>11799>C>11826>D>R [IFDReference 660 https://data.hpc.imperial.ac.uk/resolve/?doi=11826&file=2>as>5.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11826&file=2 doi:null] 10.14469/hpc/10386>C>11799>C>11826>D>R [IFDReference 661 https://data.hpc.imperial.ac.uk/resolve/?doi=11826&file=3>as>5.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11826&file=3 doi:null] 10.14469/hpc/10386>C>11799>C>11826>D>R [IFDReference 662 https://data.hpc.imperial.ac.uk/resolve/?doi=11826&file=4>as>5.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11826&file=4 doi:null] 10.14469/hpc/10386>C>11799>C>11826>D>R [IFDReference 659 https://data.hpc.imperial.ac.uk/resolve/?doi=11826&file=1>as>TM-VI-033 cyclized_2021-06-13T11-24-55.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11826&file=1 doi:null] -10.14469/hpc/10386>C>11799>C>12304> [IFDReference 663 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/12304>as>10.14469_hpc_12304.xml url:null doi:https://doi.org/10.14469/hpc/12304] Crystal data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5). +10.14469/hpc/10386>C>11799>C>12304> [IFDReference 663 https://doi.org/10.14469/hpc/12304>as>null url:null doi:https://doi.org/10.14469/hpc/12304] Crystal data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5). 10.14469/hpc/10386>C>11799>C>12304>D>R [IFDReference 667 https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=4>as>5.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=4 doi:null] 10.14469/hpc/10386>C>11799>C>12304>D>R [IFDReference 669 https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=6>as>5.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=6 doi:null] 10.14469/hpc/10386>C>11799>C>12304>D>R [IFDReference 668 https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=5>as>5.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=5 doi:null] 10.14469/hpc/10386>C>11799>C>12304>D>R [IFDReference 666 https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=3>as>AB2127.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=3 doi:null] 10.14469/hpc/10386>C>11799>C>12304>D>R [IFDReference 665 https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=2>as>AB2127.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=2 doi:null] 10.14469/hpc/10386>C>11799>C>12304>D>R [IFDReference 664 https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=1>as>AB2127_x.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=12304&file=1 doi:null] -10.14469/hpc/10386>C>11799>C>12304>D>ccdc.csd.cc2d6pt4> [IFDReference 670 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6pt4>as>10.5517_ccdc.csd.cc2d6pt4.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6pt4] CCDC 2210976: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11708> [IFDReference 671 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11708>as>10.14469_hpc_11708.xml url:null doi:https://doi.org/10.14469/hpc/11708] Compound 6: Ethyl 3-Oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate -10.14469/hpc/10386>C>11708>C>11787> [IFDReference 672 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11787>as>10.14469_hpc_11787.xml url:null doi:https://doi.org/10.14469/hpc/11787] NMR Data for Compound 6. -10.14469/hpc/10386>C>11708>C>11787>C>11792> [IFDReference 673 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11792>as>10.14469_hpc_11792.xml url:null doi:https://doi.org/10.14469/hpc/11792] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6). 13C, CDCl3 +10.14469/hpc/10386>C>11799>C>12304>D>ccdc.csd.cc2d6pt4> [IFDReference 670 https://doi.org/10.5517/ccdc.csd.cc2d6pt4>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6pt4] CCDC 2210976: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11708> [IFDReference 671 https://doi.org/10.14469/hpc/11708>as>null url:null doi:https://doi.org/10.14469/hpc/11708] Compound 6: Ethyl 3-Oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate +10.14469/hpc/10386>C>11708>C>11787> [IFDReference 672 https://doi.org/10.14469/hpc/11787>as>null url:null doi:https://doi.org/10.14469/hpc/11787] NMR Data for Compound 6. +10.14469/hpc/10386>C>11708>C>11787>C>11792> [IFDReference 673 https://doi.org/10.14469/hpc/11792>as>null url:null doi:https://doi.org/10.14469/hpc/11792] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6). 13C, CDCl3 10.14469/hpc/10386>C>11708>C>11787>C>11792>D>R [IFDReference 676 https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=3>as>6-13C in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=3 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11792>D>R [IFDReference 675 https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=2>as>6-13C in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=2 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11792>D>R [IFDReference 677 https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=4>as>6-13C in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=4 doi:null] @@ -557,7 +557,7 @@ 10.14469/hpc/10386>C>11708>C>11787>C>11792>D>R [IFDReference 679 https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=6>as>6.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=6 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11792>D>R [IFDReference 680 https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=7>as>6.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=7 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11792>D>R [IFDReference 678 https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=5>as>6.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11792&file=5 doi:null] -10.14469/hpc/10386>C>11708>C>11787>C>11791> [IFDReference 681 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11791>as>10.14469_hpc_11791.xml url:null doi:https://doi.org/10.14469/hpc/11791] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6), 13C, CD3OD +10.14469/hpc/10386>C>11708>C>11787>C>11791> [IFDReference 681 https://doi.org/10.14469/hpc/11791>as>null url:null doi:https://doi.org/10.14469/hpc/11791] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6), 13C, CD3OD 10.14469/hpc/10386>C>11708>C>11787>C>11791>D>R [IFDReference 684 https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=3>as>6-13C in CD3OD.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=3 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11791>D>R [IFDReference 683 https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=2>as>6-13C in CD3OD.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=2 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11791>D>R [IFDReference 685 https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=4>as>6-13C in CD3OD.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=4 doi:null] @@ -565,7 +565,7 @@ 10.14469/hpc/10386>C>11708>C>11787>C>11791>D>R [IFDReference 687 https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=6>as>6.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=6 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11791>D>R [IFDReference 688 https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=7>as>6.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=7 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11791>D>R [IFDReference 686 https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=5>as>6.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11791&file=5 doi:null] -10.14469/hpc/10386>C>11708>C>11787>C>11784> [IFDReference 689 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11784>as>10.14469_hpc_11784.xml url:null doi:https://doi.org/10.14469/hpc/11784] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6), 1H, CDCl3 +10.14469/hpc/10386>C>11708>C>11787>C>11784> [IFDReference 689 https://doi.org/10.14469/hpc/11784>as>null url:null doi:https://doi.org/10.14469/hpc/11784] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6), 1H, CDCl3 10.14469/hpc/10386>C>11708>C>11787>C>11784>C>R [IFDReference 692 https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=3>as>6-1H in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=3 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11784>C>R [IFDReference 691 https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=2>as>6-1H in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=2 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11784>C>R [IFDReference 693 https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=4>as>6-1H in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=4 doi:null] @@ -573,7 +573,7 @@ 10.14469/hpc/10386>C>11708>C>11787>C>11784>C>R [IFDReference 695 https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=6>as>6.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=6 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11784>C>R [IFDReference 696 https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=7>as>6.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=7 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11784>C>R [IFDReference 694 https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=5>as>6.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11784&file=5 doi:null] -10.14469/hpc/10386>C>11708>C>11787>C>11790> [IFDReference 697 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11790>as>10.14469_hpc_11790.xml url:null doi:https://doi.org/10.14469/hpc/11790] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6), 1H, CD3OD +10.14469/hpc/10386>C>11708>C>11787>C>11790> [IFDReference 697 https://doi.org/10.14469/hpc/11790>as>null url:null doi:https://doi.org/10.14469/hpc/11790] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6), 1H, CD3OD 10.14469/hpc/10386>C>11708>C>11787>C>11790>D>R [IFDReference 700 https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=3>as>6-1H in CD3OD.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=3 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11790>D>R [IFDReference 699 https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=2>as>6-1H in CD3OD.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=2 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11790>D>R [IFDReference 701 https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=4>as>6-1H in CD3OD.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=4 doi:null] @@ -581,7 +581,7 @@ 10.14469/hpc/10386>C>11708>C>11787>C>11790>D>R [IFDReference 703 https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=6>as>6.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=6 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11790>D>R [IFDReference 704 https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=7>as>6.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=7 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11790>D>R [IFDReference 702 https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=5>as>6.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11790&file=5 doi:null] -10.14469/hpc/10386>C>11708>C>11787>C>11795> [IFDReference 705 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11795>as>10.14469_hpc_11795.xml url:null doi:https://doi.org/10.14469/hpc/11795] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6). 1H, 13C, HMBC +10.14469/hpc/10386>C>11708>C>11787>C>11795> [IFDReference 705 https://doi.org/10.14469/hpc/11795>as>null url:null doi:https://doi.org/10.14469/hpc/11795] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6). 1H, 13C, HMBC 10.14469/hpc/10386>C>11708>C>11787>C>11795>D>R [IFDReference 708 https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=3>as>6-hmbc in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=3 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11795>D>R [IFDReference 707 https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=2>as>6-hmbc in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=2 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11795>D>R [IFDReference 709 https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=4>as>6-hmbc in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=4 doi:null] @@ -589,32 +589,32 @@ 10.14469/hpc/10386>C>11708>C>11787>C>11795>D>R [IFDReference 711 https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=6>as>6.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=6 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11795>D>R [IFDReference 712 https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=7>as>6.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=7 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11795>D>R [IFDReference 710 https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=5>as>6.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11795&file=5 doi:null] -10.14469/hpc/10386>C>11708>C>11787>C>11797> [IFDReference 713 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11797>as>10.14469_hpc_11797.xml url:null doi:https://doi.org/10.14469/hpc/11797] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6), 1H, 13C, HSQC +10.14469/hpc/10386>C>11708>C>11787>C>11797> [IFDReference 713 https://doi.org/10.14469/hpc/11797>as>null url:null doi:https://doi.org/10.14469/hpc/11797] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (6), 1H, 13C, HSQC 10.14469/hpc/10386>C>11708>C>11787>C>11797>D>R [IFDReference 716 https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=3>as>6-hsqc in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=3 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11797>D>R [IFDReference 715 https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=2>as>6-hsqc in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=2 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11797>D>R [IFDReference 717 https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=4>as>6-hsqc in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=4 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11797>D>R [IFDReference 714 https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=1>as>6-hsqc in CDCl3.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=1 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11797>D>R [IFDReference 720 https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=7>as>6.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=7 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11797>D>R [IFDReference 721 https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=8>as>6.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11797&file=8 doi:null] -10.14469/hpc/10386>C>11708>C>11787>C>11794> [IFDReference 722 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11794>as>10.14469_hpc_11794.xml url:null doi:https://doi.org/10.14469/hpc/11794] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate, (6), 1H, COSY +10.14469/hpc/10386>C>11708>C>11787>C>11794> [IFDReference 722 https://doi.org/10.14469/hpc/11794>as>null url:null doi:https://doi.org/10.14469/hpc/11794] NMR Data for ethyl 3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate, (6), 1H, COSY 10.14469/hpc/10386>C>11708>C>11787>C>11794>D>R [IFDReference 725 https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=3>as>6-cosy in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=3 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11794>D>R [IFDReference 724 https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=2>as>6-cosy in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=2 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11794>D>R [IFDReference 726 https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=4>as>6-cosy in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=4 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11794>D>R [IFDReference 723 https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=1>as>6-cosy in CDCl3.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=1 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11794>D>R [IFDReference 729 https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=7>as>6.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=7 doi:null] 10.14469/hpc/10386>C>11708>C>11787>C>11794>D>R [IFDReference 730 https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=8>as>6.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11794&file=8 doi:null] -10.14469/hpc/10386>C>11708>C>11793> [IFDReference 731 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11793>as>10.14469_hpc_11793.xml url:null doi:https://doi.org/10.14469/hpc/11793] IR Data for Compound 6. +10.14469/hpc/10386>C>11708>C>11793> [IFDReference 731 https://doi.org/10.14469/hpc/11793>as>null url:null doi:https://doi.org/10.14469/hpc/11793] IR Data for Compound 6. 10.14469/hpc/10386>C>11708>C>11793>D>R [IFDReference 734 https://data.hpc.imperial.ac.uk/resolve/?doi=11793&file=3>as>6.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11793&file=3 doi:null] 10.14469/hpc/10386>C>11708>C>11793>D>R [IFDReference 735 https://data.hpc.imperial.ac.uk/resolve/?doi=11793&file=4>as>6.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11793&file=4 doi:null] 10.14469/hpc/10386>C>11708>C>11793>D>R [IFDReference 733 https://data.hpc.imperial.ac.uk/resolve/?doi=11793&file=2>as>6.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11793&file=2 doi:null] 10.14469/hpc/10386>C>11708>C>11793>D>R [IFDReference 732 https://data.hpc.imperial.ac.uk/resolve/?doi=11793&file=1>as>TM-VI-152, Ph-pyr_2022-07-19T10-50-11.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11793&file=1 doi:null] -10.14469/hpc/10386>C>11742> [IFDReference 736 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11742>as>10.14469_hpc_11742.xml url:null doi:https://doi.org/10.14469/hpc/11742] Compound 64: Tris((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)lanthanum +10.14469/hpc/10386>C>11742> [IFDReference 736 https://doi.org/10.14469/hpc/11742>as>null url:null doi:https://doi.org/10.14469/hpc/11742] Compound 64: Tris((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)lanthanum 10.14469/hpc/10386>C>11742>C>R [IFDReference 739 https://data.hpc.imperial.ac.uk/resolve/?doi=11742&file=3>as>64.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11742&file=3 doi:null] 10.14469/hpc/10386>C>11742>C>R [IFDReference 740 https://data.hpc.imperial.ac.uk/resolve/?doi=11742&file=4>as>64.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11742&file=4 doi:null] 10.14469/hpc/10386>C>11742>C>R [IFDReference 738 https://data.hpc.imperial.ac.uk/resolve/?doi=11742&file=2>as>64.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11742&file=2 doi:null] -10.14469/hpc/10386>C>11711> [IFDReference 741 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11711>as>10.14469_hpc_11711.xml url:null doi:https://doi.org/10.14469/hpc/11711] Compound 10: 4-Benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one -10.14469/hpc/10386>C>11711>C>11830> [IFDReference 742 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11830>as>10.14469_hpc_11830.xml url:null doi:https://doi.org/10.14469/hpc/11830] NMR Data for Compound 10. -10.14469/hpc/10386>C>11711>C>11830>C>11852> [IFDReference 743 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11852>as>10.14469_hpc_11852.xml url:null doi:https://doi.org/10.14469/hpc/11852] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, CDCl3 +10.14469/hpc/10386>C>11711> [IFDReference 741 https://doi.org/10.14469/hpc/11711>as>null url:null doi:https://doi.org/10.14469/hpc/11711] Compound 10: 4-Benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one +10.14469/hpc/10386>C>11711>C>11830> [IFDReference 742 https://doi.org/10.14469/hpc/11830>as>null url:null doi:https://doi.org/10.14469/hpc/11830] NMR Data for Compound 10. +10.14469/hpc/10386>C>11711>C>11830>C>11852> [IFDReference 743 https://doi.org/10.14469/hpc/11852>as>null url:null doi:https://doi.org/10.14469/hpc/11852] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, CDCl3 10.14469/hpc/10386>C>11711>C>11830>C>11852>D>R [IFDReference 746 https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=3>as>10-1H in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=3 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11852>D>R [IFDReference 745 https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=2>as>10-1H in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=2 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11852>D>R [IFDReference 747 https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=4>as>10-1H in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=4 doi:null] @@ -622,7 +622,7 @@ 10.14469/hpc/10386>C>11711>C>11830>C>11852>D>R [IFDReference 751 https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=8>as>10.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=8 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11852>D>R [IFDReference 753 https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=10>as>10.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=10 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11852>D>R [IFDReference 752 https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=9>as>10.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11852&file=9 doi:null] -10.14469/hpc/10386>C>11711>C>11830>C>11853> [IFDReference 754 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11853>as>10.14469_hpc_11853.xml url:null doi:https://doi.org/10.14469/hpc/11853] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, CD3OD +10.14469/hpc/10386>C>11711>C>11830>C>11853> [IFDReference 754 https://doi.org/10.14469/hpc/11853>as>null url:null doi:https://doi.org/10.14469/hpc/11853] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, CD3OD 10.14469/hpc/10386>C>11711>C>11830>C>11853>D>R [IFDReference 760 https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=6>as>10-1H in CD3OD.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=6 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11853>D>R [IFDReference 759 https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=5>as>10-1H in CD3OD.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=5 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11853>D>R [IFDReference 761 https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=7>as>10-1H in CD3OD.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=7 doi:null] @@ -630,7 +630,7 @@ 10.14469/hpc/10386>C>11711>C>11830>C>11853>D>R [IFDReference 756 https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=2>as>10.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=2 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11853>D>R [IFDReference 757 https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=3>as>10.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=3 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11853>D>R [IFDReference 758 https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=4>as>10.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11853&file=4 doi:null] -10.14469/hpc/10386>C>11711>C>11830>C>11854> [IFDReference 762 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11854>as>10.14469_hpc_11854.xml url:null doi:https://doi.org/10.14469/hpc/11854] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 13C, CDCl3 +10.14469/hpc/10386>C>11711>C>11830>C>11854> [IFDReference 762 https://doi.org/10.14469/hpc/11854>as>null url:null doi:https://doi.org/10.14469/hpc/11854] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 13C, CDCl3 10.14469/hpc/10386>C>11711>C>11830>C>11854>D>R [IFDReference 765 https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=3>as>10-13C in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=3 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11854>D>R [IFDReference 764 https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=2>as>10-13C in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=2 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11854>D>R [IFDReference 766 https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=4>as>10-13C in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=4 doi:null] @@ -638,7 +638,7 @@ 10.14469/hpc/10386>C>11711>C>11830>C>11854>D>R [IFDReference 770 https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=8>as>10.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=8 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11854>D>R [IFDReference 772 https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=10>as>10.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=10 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11854>D>R [IFDReference 771 https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=9>as>10.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11854&file=9 doi:null] -10.14469/hpc/10386>C>11711>C>11830>C>11855> [IFDReference 773 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11855>as>10.14469_hpc_11855.xml url:null doi:https://doi.org/10.14469/hpc/11855] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 13C, CD3OD +10.14469/hpc/10386>C>11711>C>11830>C>11855> [IFDReference 773 https://doi.org/10.14469/hpc/11855>as>null url:null doi:https://doi.org/10.14469/hpc/11855] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 13C, CD3OD 10.14469/hpc/10386>C>11711>C>11830>C>11855>D>R [IFDReference 776 https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=3>as>10-13C in CD3OD.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=3 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11855>D>R [IFDReference 775 https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=2>as>10-13C in CD3OD.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=2 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11855>D>R [IFDReference 777 https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=4>as>10-13C in CD3OD.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=4 doi:null] @@ -646,7 +646,7 @@ 10.14469/hpc/10386>C>11711>C>11830>C>11855>D>R [IFDReference 781 https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=8>as>10.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=8 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11855>D>R [IFDReference 783 https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=10>as>10.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=10 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11855>D>R [IFDReference 782 https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=9>as>10.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11855&file=9 doi:null] -10.14469/hpc/10386>C>11711>C>11830>C>11856> [IFDReference 784 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11856>as>10.14469_hpc_11856.xml url:null doi:https://doi.org/10.14469/hpc/11856] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, COSY +10.14469/hpc/10386>C>11711>C>11830>C>11856> [IFDReference 784 https://doi.org/10.14469/hpc/11856>as>null url:null doi:https://doi.org/10.14469/hpc/11856] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, COSY 10.14469/hpc/10386>C>11711>C>11830>C>11856>D>R [IFDReference 787 https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=3>as>10-cosy in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=3 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11856>D>R [IFDReference 786 https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=2>as>10-cosy in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=2 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11856>D>R [IFDReference 788 https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=4>as>10-cosy in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=4 doi:null] @@ -654,7 +654,7 @@ 10.14469/hpc/10386>C>11711>C>11830>C>11856>D>R [IFDReference 792 https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=8>as>10.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=8 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11856>D>R [IFDReference 794 https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=10>as>10.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=10 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11856>D>R [IFDReference 793 https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=9>as>10.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11856&file=9 doi:null] -10.14469/hpc/10386>C>11711>C>11830>C>11857> [IFDReference 795 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11857>as>10.14469_hpc_11857.xml url:null doi:https://doi.org/10.14469/hpc/11857] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, 13C, HMBC +10.14469/hpc/10386>C>11711>C>11830>C>11857> [IFDReference 795 https://doi.org/10.14469/hpc/11857>as>null url:null doi:https://doi.org/10.14469/hpc/11857] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, 13C, HMBC 10.14469/hpc/10386>C>11711>C>11830>C>11857>D>R [IFDReference 798 https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=3>as>10-hmbc in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=3 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11857>D>R [IFDReference 797 https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=2>as>10-hmbc in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=2 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11857>D>R [IFDReference 799 https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=4>as>10-hmbc in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=4 doi:null] @@ -662,7 +662,7 @@ 10.14469/hpc/10386>C>11711>C>11830>C>11857>D>R [IFDReference 803 https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=8>as>10.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=8 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11857>D>R [IFDReference 805 https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=10>as>10.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=10 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11857>D>R [IFDReference 804 https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=9>as>10.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11857&file=9 doi:null] -10.14469/hpc/10386>C>11711>C>11830>C>11858> [IFDReference 806 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11858>as>10.14469_hpc_11858.xml url:null doi:https://doi.org/10.14469/hpc/11858] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, 13C, HMQC +10.14469/hpc/10386>C>11711>C>11830>C>11858> [IFDReference 806 https://doi.org/10.14469/hpc/11858>as>null url:null doi:https://doi.org/10.14469/hpc/11858] NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, 13C, HMQC 10.14469/hpc/10386>C>11711>C>11830>C>11858>D>R [IFDReference 809 https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=3>as>10-hsqc in CDCl3.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=3 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11858>D>R [IFDReference 808 https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=2>as>10-hsqc in CDCl3.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=2 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11858>D>R [IFDReference 810 https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=4>as>10-hsqc in CDCl3.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=4 doi:null] @@ -670,17 +670,17 @@ 10.14469/hpc/10386>C>11711>C>11830>C>11858>D>R [IFDReference 814 https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=8>as>10.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=8 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11858>D>R [IFDReference 815 https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=9>as>10.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=9 doi:null] 10.14469/hpc/10386>C>11711>C>11830>C>11858>D>R [IFDReference 816 https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=10>as>10.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11858&file=10 doi:null] -10.14469/hpc/10386>C>11711>C>11838> [IFDReference 817 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11838>as>10.14469_hpc_11838.xml url:null doi:https://doi.org/10.14469/hpc/11838] IR Data for Compound 10. +10.14469/hpc/10386>C>11711>C>11838> [IFDReference 817 https://doi.org/10.14469/hpc/11838>as>null url:null doi:https://doi.org/10.14469/hpc/11838] IR Data for Compound 10. 10.14469/hpc/10386>C>11711>C>11838>D>R [IFDReference 819 https://data.hpc.imperial.ac.uk/resolve/?doi=11838&file=2>as>10.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11838&file=2 doi:null] 10.14469/hpc/10386>C>11711>C>11838>D>R [IFDReference 820 https://data.hpc.imperial.ac.uk/resolve/?doi=11838&file=3>as>10.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11838&file=3 doi:null] 10.14469/hpc/10386>C>11711>C>11838>D>R [IFDReference 818 https://data.hpc.imperial.ac.uk/resolve/?doi=11838&file=1>as>TM-VI-167_2021-11-24T15-43-58.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11838&file=1 doi:null] -10.14469/hpc/10386>C>10385> [IFDReference 821 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/10385>as>10.14469_hpc_10385.xml url:null doi:https://doi.org/10.14469/hpc/10385] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper -10.14469/hpc/10386>C>10385>C>11504> [IFDReference 822 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11504>as>10.14469_hpc_11504.xml url:null doi:https://doi.org/10.14469/hpc/11504] IR Spectrum for Compound 56 +10.14469/hpc/10386>C>10385> [IFDReference 821 https://doi.org/10.14469/hpc/10385>as>null url:null doi:https://doi.org/10.14469/hpc/10385] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper +10.14469/hpc/10386>C>10385>C>11504> [IFDReference 822 https://doi.org/10.14469/hpc/11504>as>null url:null doi:https://doi.org/10.14469/hpc/11504] IR Spectrum for Compound 56 10.14469/hpc/10386>C>10385>C>11504>D>R [IFDReference 827 https://data.hpc.imperial.ac.uk/resolve/?doi=11504&file=5>as>56.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11504&file=5 doi:null] 10.14469/hpc/10386>C>10385>C>11504>D>R [IFDReference 829 https://data.hpc.imperial.ac.uk/resolve/?doi=11504&file=7>as>56.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11504&file=7 doi:null] 10.14469/hpc/10386>C>10385>C>11504>D>R [IFDReference 828 https://data.hpc.imperial.ac.uk/resolve/?doi=11504&file=6>as>56.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11504&file=6 doi:null] 10.14469/hpc/10386>C>10385>C>11504>D>R [IFDReference 823 https://data.hpc.imperial.ac.uk/resolve/?doi=11504&file=1>as>TM-VI-198_2021-12-05T18-33-44.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11504&file=1 doi:null] -10.14469/hpc/10386>C>10385>C>11300> [IFDReference 830 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11300>as>10.14469_hpc_11300.xml url:null doi:https://doi.org/10.14469/hpc/11300] Crystal data for Compound 56. +10.14469/hpc/10386>C>10385>C>11300> [IFDReference 830 https://doi.org/10.14469/hpc/11300>as>null url:null doi:https://doi.org/10.14469/hpc/11300] Crystal data for Compound 56. 10.14469/hpc/10386>C>10385>C>11300>D>R [IFDReference 833 https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=3>as>AB2226.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=3 doi:null] 10.14469/hpc/10386>C>10385>C>11300>D>R [IFDReference 834 https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=4>as>AB2226.7z.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=4 doi:null] 10.14469/hpc/10386>C>10385>C>11300>D>R [IFDReference 835 https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=5>as>AB2226.7z.003 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=5 doi:null] @@ -688,28 +688,28 @@ 10.14469/hpc/10386>C>10385>C>11300>D>R [IFDReference 836 https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=6>as>AB2226.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=6 doi:null] 10.14469/hpc/10386>C>10385>C>11300>D>R [IFDReference 837 https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=7>as>AB2226.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=7 doi:null] 10.14469/hpc/10386>C>10385>C>11300>D>R [IFDReference 838 https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=8>as>AB2226.zip.003 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11300&file=8 doi:null] -10.14469/hpc/10386>C>10385>C>11299> [IFDReference 839 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11299>as>10.14469_hpc_11299.xml url:null doi:https://doi.org/10.14469/hpc/11299] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper. Computational data -10.14469/hpc/10386>C>10385>C>11299>C>10323> [IFDReference 840 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/10323>as>10.14469_hpc_10323.xml url:null doi:https://doi.org/10.14469/hpc/10323] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper, ROM062X/Def2-SVP, Two long Cu-N +10.14469/hpc/10386>C>10385>C>11299> [IFDReference 839 https://doi.org/10.14469/hpc/11299>as>null url:null doi:https://doi.org/10.14469/hpc/11299] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper. Computational data +10.14469/hpc/10386>C>10385>C>11299>C>10323> [IFDReference 840 https://doi.org/10.14469/hpc/10323>as>null url:null doi:https://doi.org/10.14469/hpc/10323] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper, ROM062X/Def2-SVP, Two long Cu-N 10.14469/hpc/10386>C>10385>C>11299>C>10323>D>R [IFDReference 845 https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=5>as>56.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=5 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10323>D>R [IFDReference 841 https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=1>as>AB2226-3-14-4.gjf url:https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=1 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10323>D>R [IFDReference 842 https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=2>as>AB2226-3-14-4.log url:https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=2 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10323>D>R [IFDReference 843 https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=3>as>checkpoint.fchk url:https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=3 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10323>D>R [IFDReference 844 https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=4>as>opt.cml url:https://data.hpc.imperial.ac.uk/resolve/?doi=10323&file=4 doi:null] -10.14469/hpc/10386>C>10385>C>11299>C>10292> [IFDReference 846 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/10292>as>10.14469_hpc_10292.xml url:null doi:https://doi.org/10.14469/hpc/10292] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper M062X/Def2-SVP, Two short Cu-N bonds G = -3270.768676 +10.14469/hpc/10386>C>10385>C>11299>C>10292> [IFDReference 846 https://doi.org/10.14469/hpc/10292>as>null url:null doi:https://doi.org/10.14469/hpc/10292] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper M062X/Def2-SVP, Two short Cu-N bonds G = -3270.768676 10.14469/hpc/10386>C>10385>C>11299>C>10292>D>R [IFDReference 851 https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=5>as>56.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=5 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10292>D>R [IFDReference 847 https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=1>as>AB2226-3.gjf url:https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=1 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10292>D>R [IFDReference 848 https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=2>as>AB2226-3.log url:https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=2 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10292>D>R [IFDReference 849 https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=3>as>AB2226.fchk url:https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=3 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10292>D>R [IFDReference 850 https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=4>as>opt.cml url:https://data.hpc.imperial.ac.uk/resolve/?doi=10292&file=4 doi:null] -10.14469/hpc/10386>C>10385>C>11299>C>10311> [IFDReference 852 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/10311>as>10.14469_hpc_10311.xml url:null doi:https://doi.org/10.14469/hpc/10311] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper ROM062X/Def2-SVP, Two short Cu-N bonds G = -3270.766757 ROHF +10.14469/hpc/10386>C>10385>C>11299>C>10311> [IFDReference 852 https://doi.org/10.14469/hpc/10311>as>null url:null doi:https://doi.org/10.14469/hpc/10311] Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper ROM062X/Def2-SVP, Two short Cu-N bonds G = -3270.766757 ROHF 10.14469/hpc/10386>C>10385>C>11299>C>10311>D>R [IFDReference 857 https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=5>as>56.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=5 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10311>D>R [IFDReference 853 https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=1>as>AB2226-3-12.gjf url:https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=1 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10311>D>R [IFDReference 854 https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=2>as>AB2226-3-12.log url:https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=2 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10311>D>R [IFDReference 855 https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=3>as>checkpoint.fchk url:https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=3 doi:null] 10.14469/hpc/10386>C>10385>C>11299>C>10311>D>R [IFDReference 856 https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=4>as>opt.cml url:https://data.hpc.imperial.ac.uk/resolve/?doi=10311&file=4 doi:null] -10.14469/hpc/10386>C>11337> [IFDReference 858 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11337>as>10.14469_hpc_11337.xml url:null doi:https://doi.org/10.14469/hpc/11337] Compound 17: Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium -10.14469/hpc/10386>C>11337>C>11528> [IFDReference 859 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11528>as>10.14469_hpc_11528.xml url:null doi:https://doi.org/10.14469/hpc/11528] NMR Data for Compound 17. -10.14469/hpc/10386>C>11337>C>11528>C>11532> [IFDReference 860 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11532>as>10.14469_hpc_11532.xml url:null doi:https://doi.org/10.14469/hpc/11532] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17), 1H, COSY +10.14469/hpc/10386>C>11337> [IFDReference 858 https://doi.org/10.14469/hpc/11337>as>null url:null doi:https://doi.org/10.14469/hpc/11337] Compound 17: Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11337>C>11528> [IFDReference 859 https://doi.org/10.14469/hpc/11528>as>null url:null doi:https://doi.org/10.14469/hpc/11528] NMR Data for Compound 17. +10.14469/hpc/10386>C>11337>C>11528>C>11532> [IFDReference 860 https://doi.org/10.14469/hpc/11532>as>null url:null doi:https://doi.org/10.14469/hpc/11532] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17), 1H, COSY 10.14469/hpc/10386>C>11337>C>11528>C>11532>D>R [IFDReference 862 https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=2>as>17-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=2 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11532>D>R [IFDReference 863 https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=3>as>17-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=3 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11532>D>R [IFDReference 864 https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=4>as>17-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=4 doi:null] @@ -717,7 +717,7 @@ 10.14469/hpc/10386>C>11337>C>11528>C>11532>D>R [IFDReference 866 https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=6>as>17.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=6 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11532>D>R [IFDReference 867 https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=7>as>17.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=7 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11532>D>R [IFDReference 865 https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=5>as>17.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11532&file=5 doi:null] -10.14469/hpc/10386>C>11337>C>11528>C>11531> [IFDReference 868 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11531>as>10.14469_hpc_11531.xml url:null doi:https://doi.org/10.14469/hpc/11531] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17), 13C +10.14469/hpc/10386>C>11337>C>11528>C>11531> [IFDReference 868 https://doi.org/10.14469/hpc/11531>as>null url:null doi:https://doi.org/10.14469/hpc/11531] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17), 13C 10.14469/hpc/10386>C>11337>C>11528>C>11531>D>R [IFDReference 871 https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=3>as>17-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=3 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11531>D>R [IFDReference 870 https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=2>as>17-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=2 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11531>D>R [IFDReference 874 https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=6>as>17-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=6 doi:null] @@ -725,7 +725,7 @@ 10.14469/hpc/10386>C>11337>C>11528>C>11531>D>R [IFDReference 873 https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=5>as>17.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=5 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11531>D>R [IFDReference 875 https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=7>as>17.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=7 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11531>D>R [IFDReference 872 https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=4>as>17.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11531&file=4 doi:null] -10.14469/hpc/10386>C>11337>C>11528>C>11533> [IFDReference 876 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11533>as>10.14469_hpc_11533.xml url:null doi:https://doi.org/10.14469/hpc/11533] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17). 1H, 13C, HSQC +10.14469/hpc/10386>C>11337>C>11528>C>11533> [IFDReference 876 https://doi.org/10.14469/hpc/11533>as>null url:null doi:https://doi.org/10.14469/hpc/11533] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17). 1H, 13C, HSQC 10.14469/hpc/10386>C>11337>C>11528>C>11533>D>R [IFDReference 879 https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=3>as>17-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=3 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11533>D>R [IFDReference 878 https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=2>as>17-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=2 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11533>D>R [IFDReference 880 https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=4>as>17-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=4 doi:null] @@ -733,7 +733,7 @@ 10.14469/hpc/10386>C>11337>C>11528>C>11533>D>R [IFDReference 882 https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=6>as>17.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=6 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11533>D>R [IFDReference 883 https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=7>as>17.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=7 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11533>D>R [IFDReference 881 https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=5>as>17.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11533&file=5 doi:null] -10.14469/hpc/10386>C>11337>C>11528>C>11534> [IFDReference 884 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11534>as>10.14469_hpc_11534.xml url:null doi:https://doi.org/10.14469/hpc/11534] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17), 1H, 13C, HMBC +10.14469/hpc/10386>C>11337>C>11528>C>11534> [IFDReference 884 https://doi.org/10.14469/hpc/11534>as>null url:null doi:https://doi.org/10.14469/hpc/11534] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17), 1H, 13C, HMBC 10.14469/hpc/10386>C>11337>C>11528>C>11534>D>R [IFDReference 887 https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=3>as>17-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=3 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11534>D>R [IFDReference 886 https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=2>as>17-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=2 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11534>D>R [IFDReference 888 https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=4>as>17-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=4 doi:null] @@ -742,7 +742,7 @@ 10.14469/hpc/10386>C>11337>C>11528>C>11534>D>R [IFDReference 894 https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=10>as>17.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=10 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11534>D>R [IFDReference 893 https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=9>as>17.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=9 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11534>D>R [IFDReference 891 https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=7>as>18.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11534&file=7 doi:null] -10.14469/hpc/10386>C>11337>C>11528>C>11530> [IFDReference 895 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11530>as>10.14469_hpc_11530.xml url:null doi:https://doi.org/10.14469/hpc/11530] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17), 1H +10.14469/hpc/10386>C>11337>C>11528>C>11530> [IFDReference 895 https://doi.org/10.14469/hpc/11530>as>null url:null doi:https://doi.org/10.14469/hpc/11530] NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17), 1H 10.14469/hpc/10386>C>11337>C>11528>C>11530>D>R [IFDReference 898 https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=3>as>17-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=3 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11530>D>R [IFDReference 897 https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=2>as>17-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=2 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11530>D>R [IFDReference 899 https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=4>as>17-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=4 doi:null] @@ -750,25 +750,25 @@ 10.14469/hpc/10386>C>11337>C>11528>C>11530>D>R [IFDReference 901 https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=6>as>17.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=6 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11530>D>R [IFDReference 902 https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=7>as>17.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=7 doi:null] 10.14469/hpc/10386>C>11337>C>11528>C>11530>D>R [IFDReference 900 https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=5>as>17.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11530&file=5 doi:null] -10.14469/hpc/10386>C>11337>C>11527> [IFDReference 903 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11527>as>10.14469_hpc_11527.xml url:null doi:https://doi.org/10.14469/hpc/11527] IR Data for Compound 17. +10.14469/hpc/10386>C>11337>C>11527> [IFDReference 903 https://doi.org/10.14469/hpc/11527>as>null url:null doi:https://doi.org/10.14469/hpc/11527] IR Data for Compound 17. 10.14469/hpc/10386>C>11337>C>11527>D>R [IFDReference 906 https://data.hpc.imperial.ac.uk/resolve/?doi=11527&file=3>as>17.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11527&file=3 doi:null] 10.14469/hpc/10386>C>11337>C>11527>D>R [IFDReference 907 https://data.hpc.imperial.ac.uk/resolve/?doi=11527&file=4>as>17.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11527&file=4 doi:null] 10.14469/hpc/10386>C>11337>C>11527>D>R [IFDReference 905 https://data.hpc.imperial.ac.uk/resolve/?doi=11527&file=2>as>17.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11527&file=2 doi:null] 10.14469/hpc/10386>C>11337>C>11527>D>R [IFDReference 904 https://data.hpc.imperial.ac.uk/resolve/?doi=11527&file=1>as>TM-VI-169_2021-11-24T15-46-52.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11527&file=1 doi:null] -10.14469/hpc/10386>C>11337>C>11338> [IFDReference 908 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11338>as>10.14469_hpc_11338.xml url:null doi:https://doi.org/10.14469/hpc/11338] Crystal data for compound 17. Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11337>C>11338> [IFDReference 908 https://doi.org/10.14469/hpc/11338>as>null url:null doi:https://doi.org/10.14469/hpc/11338] Crystal data for compound 17. Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium 10.14469/hpc/10386>C>11337>C>11338>D>R [IFDReference 912 https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=4>as>17.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=4 doi:null] 10.14469/hpc/10386>C>11337>C>11338>D>R [IFDReference 913 https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=5>as>17.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=5 doi:null] 10.14469/hpc/10386>C>11337>C>11338>D>R [IFDReference 910 https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=2>as>AB2221.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=2 doi:null] 10.14469/hpc/10386>C>11337>C>11338>D>R [IFDReference 909 https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=1>as>AB2221.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=1 doi:null] 10.14469/hpc/10386>C>11337>C>11338>D>R [IFDReference 911 https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=3>as>AB2221.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11338&file=3 doi:null] -10.14469/hpc/10386>C>11337>C>11338>D>ccdc.csd.cc2d6q0c> [IFDReference 914 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6q0c>as>10.5517_ccdc.csd.cc2d6q0c.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q0c] CCDC 2210982: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11741> [IFDReference 915 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11741>as>10.14469_hpc_11741.xml url:null doi:https://doi.org/10.14469/hpc/11741] Compound 63: Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum +10.14469/hpc/10386>C>11337>C>11338>D>ccdc.csd.cc2d6q0c> [IFDReference 914 https://doi.org/10.5517/ccdc.csd.cc2d6q0c>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q0c] CCDC 2210982: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11741> [IFDReference 915 https://doi.org/10.14469/hpc/11741>as>null url:null doi:https://doi.org/10.14469/hpc/11741] Compound 63: Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum 10.14469/hpc/10386>C>11741>C>R [IFDReference 918 https://data.hpc.imperial.ac.uk/resolve/?doi=11741&file=3>as>63.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11741&file=3 doi:null] 10.14469/hpc/10386>C>11741>C>R [IFDReference 919 https://data.hpc.imperial.ac.uk/resolve/?doi=11741&file=4>as>63.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11741&file=4 doi:null] 10.14469/hpc/10386>C>11741>C>R [IFDReference 917 https://data.hpc.imperial.ac.uk/resolve/?doi=11741&file=2>as>63.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11741&file=2 doi:null] -10.14469/hpc/10386>C>11710> [IFDReference 920 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11710>as>10.14469_hpc_11710.xml url:null doi:https://doi.org/10.14469/hpc/11710] Compound 9: 2-(4-Methoxybenzyl)-2,4-dihydro-3H-pyrazol-3-one -10.14469/hpc/10386>C>11710>C>11829> [IFDReference 921 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11829>as>10.14469_hpc_11829.xml url:null doi:https://doi.org/10.14469/hpc/11829] NMR Data for Compound 9. -10.14469/hpc/10386>C>11710>C>11829>C>11850> [IFDReference 922 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11850>as>10.14469_hpc_11850.xml url:null doi:https://doi.org/10.14469/hpc/11850] NMR data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), enol, 1H, 13C, HMBC +10.14469/hpc/10386>C>11710> [IFDReference 920 https://doi.org/10.14469/hpc/11710>as>null url:null doi:https://doi.org/10.14469/hpc/11710] Compound 9: 2-(4-Methoxybenzyl)-2,4-dihydro-3H-pyrazol-3-one +10.14469/hpc/10386>C>11710>C>11829> [IFDReference 921 https://doi.org/10.14469/hpc/11829>as>null url:null doi:https://doi.org/10.14469/hpc/11829] NMR Data for Compound 9. +10.14469/hpc/10386>C>11710>C>11829>C>11850> [IFDReference 922 https://doi.org/10.14469/hpc/11850>as>null url:null doi:https://doi.org/10.14469/hpc/11850] NMR data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), enol, 1H, 13C, HMBC 10.14469/hpc/10386>C>11710>C>11829>C>11850>D>R [IFDReference 925 https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=3>as>9-enol form hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=3 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11850>D>R [IFDReference 924 https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=2>as>9-enol form hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=2 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11850>D>R [IFDReference 926 https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=4>as>9-enol form hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=4 doi:null] @@ -776,7 +776,7 @@ 10.14469/hpc/10386>C>11710>C>11829>C>11850>D>R [IFDReference 930 https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=8>as>9.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=8 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11850>D>R [IFDReference 932 https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=10>as>9.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=10 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11850>D>R [IFDReference 931 https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=9>as>9.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11850&file=9 doi:null] -10.14469/hpc/10386>C>11710>C>11829>C>11851> [IFDReference 933 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11851>as>10.14469_hpc_11851.xml url:null doi:https://doi.org/10.14469/hpc/11851] NMR data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), enol, 1H, 13C, HMQC +10.14469/hpc/10386>C>11710>C>11829>C>11851> [IFDReference 933 https://doi.org/10.14469/hpc/11851>as>null url:null doi:https://doi.org/10.14469/hpc/11851] NMR data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), enol, 1H, 13C, HMQC 10.14469/hpc/10386>C>11710>C>11829>C>11851>D>R [IFDReference 936 https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=3>as>9-enol form hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=3 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11851>D>R [IFDReference 935 https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=2>as>9-enol form hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=2 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11851>D>R [IFDReference 937 https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=4>as>9-enol form hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=4 doi:null] @@ -784,7 +784,7 @@ 10.14469/hpc/10386>C>11710>C>11829>C>11851>D>R [IFDReference 941 https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=8>as>9.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=8 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11851>D>R [IFDReference 943 https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=10>as>9.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=10 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11851>D>R [IFDReference 942 https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=9>as>9.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11851&file=9 doi:null] -10.14469/hpc/10386>C>11710>C>11829>C>11845> [IFDReference 944 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11845>as>10.14469_hpc_11845.xml url:null doi:https://doi.org/10.14469/hpc/11845] NMR data for 2-(4-methoxybenzyl)-2,4-dihydro-3H-pyrazol-3-one (9), 1H, keto form, CDCl3 +10.14469/hpc/10386>C>11710>C>11829>C>11845> [IFDReference 944 https://doi.org/10.14469/hpc/11845>as>null url:null doi:https://doi.org/10.14469/hpc/11845] NMR data for 2-(4-methoxybenzyl)-2,4-dihydro-3H-pyrazol-3-one (9), 1H, keto form, CDCl3 10.14469/hpc/10386>C>11710>C>11829>C>11845>D>R [IFDReference 947 https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=3>as>9-keto form 1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=3 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11845>D>R [IFDReference 946 https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=2>as>9-keto form 1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=2 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11845>D>R [IFDReference 948 https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=4>as>9-keto form 1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=4 doi:null] @@ -792,7 +792,7 @@ 10.14469/hpc/10386>C>11710>C>11829>C>11845>D>R [IFDReference 951 https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=7>as>9.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=7 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11845>D>R [IFDReference 953 https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=9>as>9.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=9 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11845>D>R [IFDReference 952 https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=8>as>9.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11845&file=8 doi:null] -10.14469/hpc/10386>C>11710>C>11829>C>11846> [IFDReference 954 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11846>as>10.14469_hpc_11846.xml url:null doi:https://doi.org/10.14469/hpc/11846] NMR Data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), 1H, enol form, CDCl3 +10.14469/hpc/10386>C>11710>C>11829>C>11846> [IFDReference 954 https://doi.org/10.14469/hpc/11846>as>null url:null doi:https://doi.org/10.14469/hpc/11846] NMR Data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), 1H, enol form, CDCl3 10.14469/hpc/10386>C>11710>C>11829>C>11846>D>R [IFDReference 957 https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=3>as>9-enol form 1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=3 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11846>D>R [IFDReference 956 https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=2>as>9-enol form 1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=2 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11846>D>R [IFDReference 958 https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=4>as>9-enol form 1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=4 doi:null] @@ -800,7 +800,7 @@ 10.14469/hpc/10386>C>11710>C>11829>C>11846>D>R [IFDReference 962 https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=8>as>9.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=8 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11846>D>R [IFDReference 964 https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=10>as>9.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=10 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11846>D>R [IFDReference 963 https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=9>as>9.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11846&file=9 doi:null] -10.14469/hpc/10386>C>11710>C>11829>C>11847> [IFDReference 965 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11847>as>10.14469_hpc_11847.xml url:null doi:https://doi.org/10.14469/hpc/11847] NMR Data for 2-(4-methoxybenzyl)-2,4-dihydro-3H-pyrazol-3-one (9), 13C, keto form, CDCl3 +10.14469/hpc/10386>C>11710>C>11829>C>11847> [IFDReference 965 https://doi.org/10.14469/hpc/11847>as>null url:null doi:https://doi.org/10.14469/hpc/11847] NMR Data for 2-(4-methoxybenzyl)-2,4-dihydro-3H-pyrazol-3-one (9), 13C, keto form, CDCl3 10.14469/hpc/10386>C>11710>C>11829>C>11847>D>R [IFDReference 968 https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=3>as>9-keto form 13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=3 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11847>D>R [IFDReference 967 https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=2>as>9-keto form 13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=2 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11847>D>R [IFDReference 969 https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=4>as>9-keto form 13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=4 doi:null] @@ -808,7 +808,7 @@ 10.14469/hpc/10386>C>11710>C>11829>C>11847>D>R [IFDReference 973 https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=8>as>9.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=8 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11847>D>R [IFDReference 975 https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=10>as>9.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=10 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11847>D>R [IFDReference 974 https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=9>as>9.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11847&file=9 doi:null] -10.14469/hpc/10386>C>11710>C>11829>C>11848> [IFDReference 976 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11848>as>10.14469_hpc_11848.xml url:null doi:https://doi.org/10.14469/hpc/11848] NMR Data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), 13C, enol form, CDCl3 +10.14469/hpc/10386>C>11710>C>11829>C>11848> [IFDReference 976 https://doi.org/10.14469/hpc/11848>as>null url:null doi:https://doi.org/10.14469/hpc/11848] NMR Data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), 13C, enol form, CDCl3 10.14469/hpc/10386>C>11710>C>11829>C>11848>D>R [IFDReference 979 https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=3>as>9-enol form 13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=3 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11848>D>R [IFDReference 978 https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=2>as>9-enol form 13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=2 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11848>D>R [IFDReference 980 https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=4>as>9-enol form 13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=4 doi:null] @@ -816,7 +816,7 @@ 10.14469/hpc/10386>C>11710>C>11829>C>11848>D>R [IFDReference 984 https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=8>as>9.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=8 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11848>D>R [IFDReference 986 https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=10>as>9.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=10 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11848>D>R [IFDReference 985 https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=9>as>9.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11848&file=9 doi:null] -10.14469/hpc/10386>C>11710>C>11829>C>11849> [IFDReference 987 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11849>as>10.14469_hpc_11849.xml url:null doi:https://doi.org/10.14469/hpc/11849] NMR Data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), enol form, 1H, COSY +10.14469/hpc/10386>C>11710>C>11829>C>11849> [IFDReference 987 https://doi.org/10.14469/hpc/11849>as>null url:null doi:https://doi.org/10.14469/hpc/11849] NMR Data for 1-(4-methoxybenzyl)-1H-pyrazol-5-ol (9), enol form, 1H, COSY 10.14469/hpc/10386>C>11710>C>11829>C>11849>D>R [IFDReference 990 https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=3>as>9-enol form cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=3 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11849>D>R [IFDReference 989 https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=2>as>9-enol form cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=2 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11849>D>R [IFDReference 991 https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=4>as>9-enol form cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=4 doi:null] @@ -824,28 +824,28 @@ 10.14469/hpc/10386>C>11710>C>11829>C>11849>D>R [IFDReference 995 https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=8>as>9.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=8 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11849>D>R [IFDReference 997 https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=10>as>9.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=10 doi:null] 10.14469/hpc/10386>C>11710>C>11829>C>11849>D>R [IFDReference 996 https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=9>as>9.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11849&file=9 doi:null] -10.14469/hpc/10386>C>11710>C>11835> [IFDReference 998 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11835>as>10.14469_hpc_11835.xml url:null doi:https://doi.org/10.14469/hpc/11835] IR Data for Compound 9. +10.14469/hpc/10386>C>11710>C>11835> [IFDReference 998 https://doi.org/10.14469/hpc/11835>as>null url:null doi:https://doi.org/10.14469/hpc/11835] IR Data for Compound 9. 10.14469/hpc/10386>C>11710>C>11835>D>R [IFDReference 1000 https://data.hpc.imperial.ac.uk/resolve/?doi=11835&file=2>as>9.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11835&file=2 doi:null] 10.14469/hpc/10386>C>11710>C>11835>D>R [IFDReference 1001 https://data.hpc.imperial.ac.uk/resolve/?doi=11835&file=3>as>9.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11835&file=3 doi:null] 10.14469/hpc/10386>C>11710>C>11835>D>R [IFDReference 999 https://data.hpc.imperial.ac.uk/resolve/?doi=11835&file=1>as>TM-VI-368, decarb. pmb-pyr_2022-07-19T10-45-41.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11835&file=1 doi:null] -10.14469/hpc/10386>C>11402> [IFDReference 1002 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11402>as>10.14469_hpc_11402.xml url:null doi:https://doi.org/10.14469/hpc/11402] Compound 55: bis((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper -10.14469/hpc/10386>C>11402>C>11497> [IFDReference 1003 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11497>as>10.14469_hpc_11497.xml url:null doi:https://doi.org/10.14469/hpc/11497] IR Data for Compound 55 +10.14469/hpc/10386>C>11402> [IFDReference 1002 https://doi.org/10.14469/hpc/11402>as>null url:null doi:https://doi.org/10.14469/hpc/11402] Compound 55: bis((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper +10.14469/hpc/10386>C>11402>C>11497> [IFDReference 1003 https://doi.org/10.14469/hpc/11497>as>null url:null doi:https://doi.org/10.14469/hpc/11497] IR Data for Compound 55 10.14469/hpc/10386>C>11402>C>11497>D>R [IFDReference 1011 https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=8>as>55.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=8 doi:null] 10.14469/hpc/10386>C>11402>C>11497>D>R [IFDReference 1013 https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=10>as>55.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=10 doi:null] 10.14469/hpc/10386>C>11402>C>11497>D>R [IFDReference 1012 https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=9>as>55.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=9 doi:null] 10.14469/hpc/10386>C>11402>C>11497>D>R [IFDReference 1006 https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=3>as>Cu-Bz.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=3 doi:null] 10.14469/hpc/10386>C>11402>C>11497>D>R [IFDReference 1005 https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=2>as>Cu-Bz.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=2 doi:null] 10.14469/hpc/10386>C>11402>C>11497>D>R [IFDReference 1004 https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=1>as>TM-VI-196_2021-12-05T18-31-20.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11497&file=1 doi:null] -10.14469/hpc/10386>C>11402>C>11423> [IFDReference 1014 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11423>as>10.14469_hpc_11423.xml url:null doi:https://doi.org/10.14469/hpc/11423] Primary crystal structure data for Compound 55. Bis(ethanol) bis((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper +10.14469/hpc/10386>C>11402>C>11423> [IFDReference 1014 https://doi.org/10.14469/hpc/11423>as>null url:null doi:https://doi.org/10.14469/hpc/11423] Primary crystal structure data for Compound 55. Bis(ethanol) bis((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper 10.14469/hpc/10386>C>11402>C>11423>D>R [IFDReference 1017 https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=3>as>55.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=3 doi:null] 10.14469/hpc/10386>C>11402>C>11423>D>R [IFDReference 1019 https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=5>as>55.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=5 doi:null] 10.14469/hpc/10386>C>11402>C>11423>D>R [IFDReference 1018 https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=4>as>55.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=4 doi:null] 10.14469/hpc/10386>C>11402>C>11423>D>R [IFDReference 1016 https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=2>as>AB2246.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=2 doi:null] 10.14469/hpc/10386>C>11402>C>11423>D>R [IFDReference 1015 https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=1>as>AB2246.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11423&file=1 doi:null] -10.14469/hpc/10386>C>11402>C>11423>D>ccdc.csd.cc2d6qmz> [IFDReference 1020 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qmz>as>10.5517_ccdc.csd.cc2d6qmz.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qmz] CCDC 2211001: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11375> [IFDReference 1021 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11375>as>10.14469_hpc_11375.xml url:null doi:https://doi.org/10.14469/hpc/11375] Compound 38: (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] -10.14469/hpc/10386>C>11375>C>11613> [IFDReference 1022 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11613>as>10.14469_hpc_11613.xml url:null doi:https://doi.org/10.14469/hpc/11613] NMR Data for Compound 38. -10.14469/hpc/10386>C>11375>C>11613>C>11641> [IFDReference 1023 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11641>as>10.14469_hpc_11641.xml url:null doi:https://doi.org/10.14469/hpc/11641] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 1H +10.14469/hpc/10386>C>11402>C>11423>D>ccdc.csd.cc2d6qmz> [IFDReference 1020 https://doi.org/10.5517/ccdc.csd.cc2d6qmz>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qmz] CCDC 2211001: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11375> [IFDReference 1021 https://doi.org/10.14469/hpc/11375>as>null url:null doi:https://doi.org/10.14469/hpc/11375] Compound 38: (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] +10.14469/hpc/10386>C>11375>C>11613> [IFDReference 1022 https://doi.org/10.14469/hpc/11613>as>null url:null doi:https://doi.org/10.14469/hpc/11613] NMR Data for Compound 38. +10.14469/hpc/10386>C>11375>C>11613>C>11641> [IFDReference 1023 https://doi.org/10.14469/hpc/11641>as>null url:null doi:https://doi.org/10.14469/hpc/11641] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 1H 10.14469/hpc/10386>C>11375>C>11613>C>11641>D>R [IFDReference 1026 https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=3>as>38-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=3 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11641>D>R [IFDReference 1025 https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=2>as>38-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=2 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11641>D>R [IFDReference 1027 https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=4>as>38-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=4 doi:null] @@ -853,7 +853,7 @@ 10.14469/hpc/10386>C>11375>C>11613>C>11641>D>R [IFDReference 1029 https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=6>as>38.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=6 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11641>D>R [IFDReference 1030 https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=7>as>38.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=7 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11641>D>R [IFDReference 1028 https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=5>as>38.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11641&file=5 doi:null] -10.14469/hpc/10386>C>11375>C>11613>C>11642> [IFDReference 1031 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11642>as>10.14469_hpc_11642.xml url:null doi:https://doi.org/10.14469/hpc/11642] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 13C +10.14469/hpc/10386>C>11375>C>11613>C>11642> [IFDReference 1031 https://doi.org/10.14469/hpc/11642>as>null url:null doi:https://doi.org/10.14469/hpc/11642] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 13C 10.14469/hpc/10386>C>11375>C>11613>C>11642>D>R [IFDReference 1034 https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=3>as>38-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=3 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11642>D>R [IFDReference 1033 https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=2>as>38-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=2 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11642>D>R [IFDReference 1035 https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=4>as>38-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=4 doi:null] @@ -861,7 +861,7 @@ 10.14469/hpc/10386>C>11375>C>11613>C>11642>D>R [IFDReference 1037 https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=6>as>38.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=6 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11642>D>R [IFDReference 1038 https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=7>as>38.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=7 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11642>D>R [IFDReference 1036 https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=5>as>38.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11642&file=5 doi:null] -10.14469/hpc/10386>C>11375>C>11613>C>11643> [IFDReference 1039 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11643>as>10.14469_hpc_11643.xml url:null doi:https://doi.org/10.14469/hpc/11643] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 1H, COSY +10.14469/hpc/10386>C>11375>C>11613>C>11643> [IFDReference 1039 https://doi.org/10.14469/hpc/11643>as>null url:null doi:https://doi.org/10.14469/hpc/11643] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 1H, COSY 10.14469/hpc/10386>C>11375>C>11613>C>11643>D>R [IFDReference 1042 https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=3>as>38-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=3 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11643>D>R [IFDReference 1041 https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=2>as>38-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=2 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11643>D>R [IFDReference 1043 https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=4>as>38-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=4 doi:null] @@ -869,7 +869,7 @@ 10.14469/hpc/10386>C>11375>C>11613>C>11643>D>R [IFDReference 1045 https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=6>as>38.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=6 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11643>D>R [IFDReference 1046 https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=7>as>38.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=7 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11643>D>R [IFDReference 1044 https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=5>as>38.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11643&file=5 doi:null] -10.14469/hpc/10386>C>11375>C>11613>C>11645> [IFDReference 1047 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11645>as>10.14469_hpc_11645.xml url:null doi:https://doi.org/10.14469/hpc/11645] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 1H, 13C, HMQC +10.14469/hpc/10386>C>11375>C>11613>C>11645> [IFDReference 1047 https://doi.org/10.14469/hpc/11645>as>null url:null doi:https://doi.org/10.14469/hpc/11645] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 1H, 13C, HMQC 10.14469/hpc/10386>C>11375>C>11613>C>11645>D>R [IFDReference 1050 https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=3>as>38- hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=3 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11645>D>R [IFDReference 1049 https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=2>as>38- hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=2 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11645>D>R [IFDReference 1051 https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=4>as>38- hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=4 doi:null] @@ -877,7 +877,7 @@ 10.14469/hpc/10386>C>11375>C>11613>C>11645>D>R [IFDReference 1053 https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=6>as>38.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=6 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11645>D>R [IFDReference 1054 https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=7>as>38.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=7 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11645>D>R [IFDReference 1052 https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=5>as>38.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11645&file=5 doi:null] -10.14469/hpc/10386>C>11375>C>11613>C>11644> [IFDReference 1055 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11644>as>10.14469_hpc_11644.xml url:null doi:https://doi.org/10.14469/hpc/11644] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 1H, 13C, HMBC +10.14469/hpc/10386>C>11375>C>11613>C>11644> [IFDReference 1055 https://doi.org/10.14469/hpc/11644>as>null url:null doi:https://doi.org/10.14469/hpc/11644] NMR Data for (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] (38), 1H, 13C, HMBC 10.14469/hpc/10386>C>11375>C>11613>C>11644>D>R [IFDReference 1058 https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=3>as>38-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=3 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11644>D>R [IFDReference 1057 https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=2>as>38-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=2 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11644>D>R [IFDReference 1059 https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=4>as>38-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=4 doi:null] @@ -885,19 +885,19 @@ 10.14469/hpc/10386>C>11375>C>11613>C>11644>D>R [IFDReference 1061 https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=6>as>38.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=6 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11644>D>R [IFDReference 1062 https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=7>as>38.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=7 doi:null] 10.14469/hpc/10386>C>11375>C>11613>C>11644>D>R [IFDReference 1060 https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=5>as>38.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11644&file=5 doi:null] -10.14469/hpc/10386>C>11375>C>11612> [IFDReference 1063 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11612>as>10.14469_hpc_11612.xml url:null doi:https://doi.org/10.14469/hpc/11612] IR Data for Compound 38. +10.14469/hpc/10386>C>11375>C>11612> [IFDReference 1063 https://doi.org/10.14469/hpc/11612>as>null url:null doi:https://doi.org/10.14469/hpc/11612] IR Data for Compound 38. 10.14469/hpc/10386>C>11375>C>11612>D>R [IFDReference 1066 https://data.hpc.imperial.ac.uk/resolve/?doi=11612&file=3>as>38.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11612&file=3 doi:null] 10.14469/hpc/10386>C>11375>C>11612>D>R [IFDReference 1067 https://data.hpc.imperial.ac.uk/resolve/?doi=11612&file=4>as>38.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11612&file=4 doi:null] 10.14469/hpc/10386>C>11375>C>11612>D>R [IFDReference 1065 https://data.hpc.imperial.ac.uk/resolve/?doi=11612&file=2>as>38.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11612&file=2 doi:null] 10.14469/hpc/10386>C>11375>C>11612>D>R [IFDReference 1064 https://data.hpc.imperial.ac.uk/resolve/?doi=11612&file=1>as>TM-VI-213_2021-12-20T14-20-32.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11612&file=1 doi:null] -10.14469/hpc/10386>C>11375>C>11392> [IFDReference 1068 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11392>as>10.14469_hpc_11392.xml url:null doi:https://doi.org/10.14469/hpc/11392] Primary crystal structure data for Compound 38. (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] +10.14469/hpc/10386>C>11375>C>11392> [IFDReference 1068 https://doi.org/10.14469/hpc/11392>as>null url:null doi:https://doi.org/10.14469/hpc/11392] Primary crystal structure data for Compound 38. (m-O)-Di-[cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium] 10.14469/hpc/10386>C>11375>C>11392>D>R [IFDReference 1070 https://data.hpc.imperial.ac.uk/resolve/?doi=11392&file=2>as>AB2157.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11392&file=2 doi:null] 10.14469/hpc/10386>C>11375>C>11392>D>R [IFDReference 1069 https://data.hpc.imperial.ac.uk/resolve/?doi=11392&file=1>as>AB2157.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11392&file=1 doi:null] 10.14469/hpc/10386>C>11375>C>11392>D>R [IFDReference 1071 https://data.hpc.imperial.ac.uk/resolve/?doi=11392&file=3>as>AB2157.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11392&file=3 doi:null] -10.14469/hpc/10386>C>11375>C>11392>D>ccdc.csd.cc2d6q6k> [IFDReference 1072 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6q6k>as>10.5517_ccdc.csd.cc2d6q6k.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q6k] CCDC 2210988: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11335> [IFDReference 1073 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11335>as>10.14469_hpc_11335.xml url:null doi:https://doi.org/10.14469/hpc/11335] Compound 16: bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium -10.14469/hpc/10386>C>11335>C>11542> [IFDReference 1074 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11542>as>10.14469_hpc_11542.xml url:null doi:https://doi.org/10.14469/hpc/11542] NMR Data for Compound 16. -10.14469/hpc/10386>C>11335>C>11542>C>11544> [IFDReference 1075 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11544>as>10.14469_hpc_11544.xml url:null doi:https://doi.org/10.14469/hpc/11544] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16), 1H +10.14469/hpc/10386>C>11375>C>11392>D>ccdc.csd.cc2d6q6k> [IFDReference 1072 https://doi.org/10.5517/ccdc.csd.cc2d6q6k>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q6k] CCDC 2210988: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11335> [IFDReference 1073 https://doi.org/10.14469/hpc/11335>as>null url:null doi:https://doi.org/10.14469/hpc/11335] Compound 16: bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11335>C>11542> [IFDReference 1074 https://doi.org/10.14469/hpc/11542>as>null url:null doi:https://doi.org/10.14469/hpc/11542] NMR Data for Compound 16. +10.14469/hpc/10386>C>11335>C>11542>C>11544> [IFDReference 1075 https://doi.org/10.14469/hpc/11544>as>null url:null doi:https://doi.org/10.14469/hpc/11544] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16), 1H 10.14469/hpc/10386>C>11335>C>11542>C>11544>D>R [IFDReference 1078 https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=3>as>16-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=3 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11544>D>R [IFDReference 1077 https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=2>as>16-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=2 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11544>D>R [IFDReference 1079 https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=4>as>16-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=4 doi:null] @@ -905,7 +905,7 @@ 10.14469/hpc/10386>C>11335>C>11542>C>11544>D>R [IFDReference 1081 https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=6>as>16.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=6 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11544>D>R [IFDReference 1082 https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=7>as>16.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=7 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11544>D>R [IFDReference 1080 https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=5>as>16.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11544&file=5 doi:null] -10.14469/hpc/10386>C>11335>C>11542>C>11546> [IFDReference 1083 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11546>as>10.14469_hpc_11546.xml url:null doi:https://doi.org/10.14469/hpc/11546] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16), HMBC +10.14469/hpc/10386>C>11335>C>11542>C>11546> [IFDReference 1083 https://doi.org/10.14469/hpc/11546>as>null url:null doi:https://doi.org/10.14469/hpc/11546] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16), HMBC 10.14469/hpc/10386>C>11335>C>11542>C>11546>D>R [IFDReference 1086 https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=3>as>16-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=3 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11546>D>R [IFDReference 1085 https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=2>as>16-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=2 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11546>D>R [IFDReference 1087 https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=4>as>16-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=4 doi:null] @@ -913,7 +913,7 @@ 10.14469/hpc/10386>C>11335>C>11542>C>11546>D>R [IFDReference 1089 https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=6>as>16.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=6 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11546>D>R [IFDReference 1090 https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=7>as>16.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=7 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11546>D>R [IFDReference 1088 https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=5>as>16.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11546&file=5 doi:null] -10.14469/hpc/10386>C>11335>C>11542>C>11547> [IFDReference 1091 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11547>as>10.14469_hpc_11547.xml url:null doi:https://doi.org/10.14469/hpc/11547] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16), HSQC +10.14469/hpc/10386>C>11335>C>11542>C>11547> [IFDReference 1091 https://doi.org/10.14469/hpc/11547>as>null url:null doi:https://doi.org/10.14469/hpc/11547] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16), HSQC 10.14469/hpc/10386>C>11335>C>11542>C>11547>D>R [IFDReference 1094 https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=3>as>16-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=3 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11547>D>R [IFDReference 1093 https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=2>as>16-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=2 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11547>D>R [IFDReference 1095 https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=4>as>16-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=4 doi:null] @@ -921,7 +921,7 @@ 10.14469/hpc/10386>C>11335>C>11542>C>11547>D>R [IFDReference 1097 https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=6>as>16.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=6 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11547>D>R [IFDReference 1098 https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=7>as>16.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=7 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11547>D>R [IFDReference 1096 https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=5>as>16.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11547&file=5 doi:null] -10.14469/hpc/10386>C>11335>C>11542>C>11545> [IFDReference 1099 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11545>as>10.14469_hpc_11545.xml url:null doi:https://doi.org/10.14469/hpc/11545] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16), 13C +10.14469/hpc/10386>C>11335>C>11542>C>11545> [IFDReference 1099 https://doi.org/10.14469/hpc/11545>as>null url:null doi:https://doi.org/10.14469/hpc/11545] NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16), 13C 10.14469/hpc/10386>C>11335>C>11542>C>11545>D>R [IFDReference 1102 https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=3>as>16-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=3 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11545>D>R [IFDReference 1101 https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=2>as>16-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=2 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11545>D>R [IFDReference 1103 https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=4>as>16-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=4 doi:null] @@ -929,51 +929,51 @@ 10.14469/hpc/10386>C>11335>C>11542>C>11545>D>R [IFDReference 1105 https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=6>as>16.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=6 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11545>D>R [IFDReference 1106 https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=7>as>16.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=7 doi:null] 10.14469/hpc/10386>C>11335>C>11542>C>11545>D>R [IFDReference 1104 https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=5>as>16.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11545&file=5 doi:null] -10.14469/hpc/10386>C>11335>C>11543> [IFDReference 1107 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11543>as>10.14469_hpc_11543.xml url:null doi:https://doi.org/10.14469/hpc/11543] IR data for Compound 16. +10.14469/hpc/10386>C>11335>C>11543> [IFDReference 1107 https://doi.org/10.14469/hpc/11543>as>null url:null doi:https://doi.org/10.14469/hpc/11543] IR data for Compound 16. 10.14469/hpc/10386>C>11335>C>11543>D>R [IFDReference 1110 https://data.hpc.imperial.ac.uk/resolve/?doi=11543&file=3>as>16.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11543&file=3 doi:null] 10.14469/hpc/10386>C>11335>C>11543>D>R [IFDReference 1111 https://data.hpc.imperial.ac.uk/resolve/?doi=11543&file=4>as>16.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11543&file=4 doi:null] 10.14469/hpc/10386>C>11335>C>11543>D>R [IFDReference 1109 https://data.hpc.imperial.ac.uk/resolve/?doi=11543&file=2>as>16.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11543&file=2 doi:null] 10.14469/hpc/10386>C>11335>C>11543>D>R [IFDReference 1108 https://data.hpc.imperial.ac.uk/resolve/?doi=11543&file=1>as>TM-VI-104solid_2021-10-05T16-20-27.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11543&file=1 doi:null] -10.14469/hpc/10386>C>11335>C>11691> [IFDReference 1112 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11691>as>10.14469_hpc_11691.xml url:null doi:https://doi.org/10.14469/hpc/11691] Compound 16: bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium. NMR and IR prediction, G = -2107.704571 +10.14469/hpc/10386>C>11335>C>11691> [IFDReference 1112 https://doi.org/10.14469/hpc/11691>as>null url:null doi:https://doi.org/10.14469/hpc/11691] Compound 16: bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium. NMR and IR prediction, G = -2107.704571 10.14469/hpc/10386>C>11335>C>11691>D>R [IFDReference 1113 https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=1>as>16-4-7-2.gjf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=1 doi:null] 10.14469/hpc/10386>C>11335>C>11691>D>R [IFDReference 1114 https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=2>as>16-4-7-2.log url:https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=2 doi:null] 10.14469/hpc/10386>C>11335>C>11691>D>R [IFDReference 1115 https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=3>as>16.fchk url:https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=3 doi:null] 10.14469/hpc/10386>C>11335>C>11691>D>R [IFDReference 1117 https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=5>as>Rawbinaryarray.baf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=5 doi:null] 10.14469/hpc/10386>C>11335>C>11691>D>R [IFDReference 1116 https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=4>as>opt.cml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11691&file=4 doi:null] -10.14469/hpc/10386>C>11335>C>11336> [IFDReference 1118 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11336>as>10.14469_hpc_11336.xml url:null doi:https://doi.org/10.14469/hpc/11336] Primary crystal structure data for compound 16. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11335>C>11336> [IFDReference 1118 https://doi.org/10.14469/hpc/11336>as>null url:null doi:https://doi.org/10.14469/hpc/11336] Primary crystal structure data for compound 16. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium 10.14469/hpc/10386>C>11335>C>11336>D>R [IFDReference 1124 https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=6>as>16.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=6 doi:null] 10.14469/hpc/10386>C>11335>C>11336>D>R [IFDReference 1125 https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=7>as>16.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=7 doi:null] 10.14469/hpc/10386>C>11335>C>11336>D>R [IFDReference 1120 https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=2>as>AB2116b.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=2 doi:null] 10.14469/hpc/10386>C>11335>C>11336>D>R [IFDReference 1119 https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=1>as>AB2116b.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=1 doi:null] 10.14469/hpc/10386>C>11335>C>11336>D>R [IFDReference 1121 https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=3>as>AB2116b.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=3 doi:null] 10.14469/hpc/10386>C>11335>C>11336>D>R [IFDReference 1122 https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=4>as>AB2116b.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11336&file=4 doi:null] -10.14469/hpc/10386>C>11335>C>11336>D>ccdc.csd.cc2d6pz9> [IFDReference 1126 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6pz9>as>10.5517_ccdc.csd.cc2d6pz9.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6pz9] CCDC 2210981: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11747> [IFDReference 1127 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11747>as>10.14469_hpc_11747.xml url:null doi:https://doi.org/10.14469/hpc/11747] Compound 73: Bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)dioxouranium -10.14469/hpc/10386>C>11747>C>12306> [IFDReference 1128 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/12306>as>10.14469_hpc_12306.xml url:null doi:https://doi.org/10.14469/hpc/12306] Crystal structure data for Compound 73 +10.14469/hpc/10386>C>11335>C>11336>D>ccdc.csd.cc2d6pz9> [IFDReference 1126 https://doi.org/10.5517/ccdc.csd.cc2d6pz9>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6pz9] CCDC 2210981: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11747> [IFDReference 1127 https://doi.org/10.14469/hpc/11747>as>null url:null doi:https://doi.org/10.14469/hpc/11747] Compound 73: Bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)dioxouranium +10.14469/hpc/10386>C>11747>C>12306> [IFDReference 1128 https://doi.org/10.14469/hpc/12306>as>null url:null doi:https://doi.org/10.14469/hpc/12306] Crystal structure data for Compound 73 10.14469/hpc/10386>C>11747>C>12306>D>R [IFDReference 1130 https://data.hpc.imperial.ac.uk/resolve/?doi=12306&file=2>as>73.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=12306&file=2 doi:null] 10.14469/hpc/10386>C>11747>C>12306>D>R [IFDReference 1131 https://data.hpc.imperial.ac.uk/resolve/?doi=12306&file=3>as>73.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=12306&file=3 doi:null] 10.14469/hpc/10386>C>11747>C>12306>D>R [IFDReference 1129 https://data.hpc.imperial.ac.uk/resolve/?doi=12306&file=1>as>AB2301.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=12306&file=1 doi:null] -10.14469/hpc/10386>C>11401> [IFDReference 1132 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11401>as>10.14469_hpc_11401.xml url:null doi:https://doi.org/10.14469/hpc/11401] Compound 54: Bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)copper polymer -10.14469/hpc/10386>C>11401>C>11505> [IFDReference 1133 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11505>as>10.14469_hpc_11505.xml url:null doi:https://doi.org/10.14469/hpc/11505] IR data for Compound 54. +10.14469/hpc/10386>C>11401> [IFDReference 1132 https://doi.org/10.14469/hpc/11401>as>null url:null doi:https://doi.org/10.14469/hpc/11401] Compound 54: Bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)copper polymer +10.14469/hpc/10386>C>11401>C>11505> [IFDReference 1133 https://doi.org/10.14469/hpc/11505>as>null url:null doi:https://doi.org/10.14469/hpc/11505] IR data for Compound 54. 10.14469/hpc/10386>C>11401>C>11505>D>R [IFDReference 1138 https://data.hpc.imperial.ac.uk/resolve/?doi=11505&file=5>as>54.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11505&file=5 doi:null] 10.14469/hpc/10386>C>11401>C>11505>D>R [IFDReference 1140 https://data.hpc.imperial.ac.uk/resolve/?doi=11505&file=7>as>54.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11505&file=7 doi:null] 10.14469/hpc/10386>C>11401>C>11505>D>R [IFDReference 1139 https://data.hpc.imperial.ac.uk/resolve/?doi=11505&file=6>as>54.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11505&file=6 doi:null] 10.14469/hpc/10386>C>11401>C>11505>D>R [IFDReference 1135 https://data.hpc.imperial.ac.uk/resolve/?doi=11505&file=2>as>TM-VI-195_2021-12-05T18-29-03.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11505&file=2 doi:null] -10.14469/hpc/10386>C>11401>C>11422> [IFDReference 1141 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11422>as>10.14469_hpc_11422.xml url:null doi:https://doi.org/10.14469/hpc/11422] Primary crystal structure data for Compound 54. Bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)copper polymer +10.14469/hpc/10386>C>11401>C>11422> [IFDReference 1141 https://doi.org/10.14469/hpc/11422>as>null url:null doi:https://doi.org/10.14469/hpc/11422] Primary crystal structure data for Compound 54. Bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)copper polymer 10.14469/hpc/10386>C>11401>C>11422>D>R [IFDReference 1145 https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=4>as>54.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=4 doi:null] 10.14469/hpc/10386>C>11401>C>11422>D>R [IFDReference 1146 https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=5>as>54.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=5 doi:null] 10.14469/hpc/10386>C>11401>C>11422>D>R [IFDReference 1143 https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=2>as>AB2153.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=2 doi:null] 10.14469/hpc/10386>C>11401>C>11422>D>R [IFDReference 1142 https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=1>as>AB2153.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=1 doi:null] 10.14469/hpc/10386>C>11401>C>11422>D>R [IFDReference 1144 https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=3>as>AB2153.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11422&file=3 doi:null] -10.14469/hpc/10386>C>11401>C>11422>D>ccdc.csd.cc2d6qly> [IFDReference 1147 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qly>as>10.5517_ccdc.csd.cc2d6qly.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qly] CCDC 2211000: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11374> [IFDReference 1148 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11374>as>10.14469_hpc_11374.xml url:null doi:https://doi.org/10.14469/hpc/11374] Compound 37: Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride -10.14469/hpc/10386>C>11374>C>11610> [IFDReference 1149 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11610>as>10.14469_hpc_11610.xml url:null doi:https://doi.org/10.14469/hpc/11610] IR Data for Compound 37. +10.14469/hpc/10386>C>11401>C>11422>D>ccdc.csd.cc2d6qly> [IFDReference 1147 https://doi.org/10.5517/ccdc.csd.cc2d6qly>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qly] CCDC 2211000: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11374> [IFDReference 1148 https://doi.org/10.14469/hpc/11374>as>null url:null doi:https://doi.org/10.14469/hpc/11374] Compound 37: Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride +10.14469/hpc/10386>C>11374>C>11610> [IFDReference 1149 https://doi.org/10.14469/hpc/11610>as>null url:null doi:https://doi.org/10.14469/hpc/11610] IR Data for Compound 37. 10.14469/hpc/10386>C>11374>C>11610>D>R [IFDReference 1152 https://data.hpc.imperial.ac.uk/resolve/?doi=11610&file=3>as>37.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11610&file=3 doi:null] 10.14469/hpc/10386>C>11374>C>11610>D>R [IFDReference 1153 https://data.hpc.imperial.ac.uk/resolve/?doi=11610&file=4>as>37.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11610&file=4 doi:null] 10.14469/hpc/10386>C>11374>C>11610>D>R [IFDReference 1151 https://data.hpc.imperial.ac.uk/resolve/?doi=11610&file=2>as>37.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11610&file=2 doi:null] 10.14469/hpc/10386>C>11374>C>11610>D>R [IFDReference 1150 https://data.hpc.imperial.ac.uk/resolve/?doi=11610&file=1>as>TM-VI-212_2021-12-20T14-17-29.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11610&file=1 doi:null] -10.14469/hpc/10386>C>11374>C>11611> [IFDReference 1154 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11611>as>10.14469_hpc_11611.xml url:null doi:https://doi.org/10.14469/hpc/11611] NMR Data for Compound 37. -10.14469/hpc/10386>C>11374>C>11611>C>11636> [IFDReference 1155 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11636>as>10.14469_hpc_11636.xml url:null doi:https://doi.org/10.14469/hpc/11636] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 1H +10.14469/hpc/10386>C>11374>C>11611> [IFDReference 1154 https://doi.org/10.14469/hpc/11611>as>null url:null doi:https://doi.org/10.14469/hpc/11611] NMR Data for Compound 37. +10.14469/hpc/10386>C>11374>C>11611>C>11636> [IFDReference 1155 https://doi.org/10.14469/hpc/11636>as>null url:null doi:https://doi.org/10.14469/hpc/11636] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 1H 10.14469/hpc/10386>C>11374>C>11611>C>11636>D>R [IFDReference 1158 https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=3>as>37-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=3 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11636>D>R [IFDReference 1157 https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=2>as>37-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=2 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11636>D>R [IFDReference 1159 https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=4>as>37-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=4 doi:null] @@ -981,7 +981,7 @@ 10.14469/hpc/10386>C>11374>C>11611>C>11636>D>R [IFDReference 1161 https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=6>as>37.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=6 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11636>D>R [IFDReference 1162 https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=7>as>37.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=7 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11636>D>R [IFDReference 1160 https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=5>as>37.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11636&file=5 doi:null] -10.14469/hpc/10386>C>11374>C>11611>C>11637> [IFDReference 1163 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11637>as>10.14469_hpc_11637.xml url:null doi:https://doi.org/10.14469/hpc/11637] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 13C +10.14469/hpc/10386>C>11374>C>11611>C>11637> [IFDReference 1163 https://doi.org/10.14469/hpc/11637>as>null url:null doi:https://doi.org/10.14469/hpc/11637] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 13C 10.14469/hpc/10386>C>11374>C>11611>C>11637>D>R [IFDReference 1167 https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=4>as>37-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=4 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11637>D>R [IFDReference 1169 https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=6>as>37-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=6 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11637>D>R [IFDReference 1168 https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=5>as>37-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=5 doi:null] @@ -989,7 +989,7 @@ 10.14469/hpc/10386>C>11374>C>11611>C>11637>D>R [IFDReference 1166 https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=3>as>37.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=3 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11637>D>R [IFDReference 1170 https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=7>as>37.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=7 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11637>D>R [IFDReference 1165 https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=2>as>37.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11637&file=2 doi:null] -10.14469/hpc/10386>C>11374>C>11611>C>11638> [IFDReference 1171 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11638>as>10.14469_hpc_11638.xml url:null doi:https://doi.org/10.14469/hpc/11638] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 1H, COSY +10.14469/hpc/10386>C>11374>C>11611>C>11638> [IFDReference 1171 https://doi.org/10.14469/hpc/11638>as>null url:null doi:https://doi.org/10.14469/hpc/11638] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 1H, COSY 10.14469/hpc/10386>C>11374>C>11611>C>11638>D>R [IFDReference 1174 https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=3>as>37-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=3 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11638>D>R [IFDReference 1173 https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=2>as>37-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=2 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11638>D>R [IFDReference 1175 https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=4>as>37-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=4 doi:null] @@ -997,7 +997,7 @@ 10.14469/hpc/10386>C>11374>C>11611>C>11638>D>R [IFDReference 1177 https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=6>as>37.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=6 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11638>D>R [IFDReference 1178 https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=7>as>37.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=7 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11638>D>R [IFDReference 1176 https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=5>as>37.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11638&file=5 doi:null] -10.14469/hpc/10386>C>11374>C>11611>C>11640> [IFDReference 1179 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11640>as>10.14469_hpc_11640.xml url:null doi:https://doi.org/10.14469/hpc/11640] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 1H, 13C, HMBC +10.14469/hpc/10386>C>11374>C>11611>C>11640> [IFDReference 1179 https://doi.org/10.14469/hpc/11640>as>null url:null doi:https://doi.org/10.14469/hpc/11640] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 1H, 13C, HMBC 10.14469/hpc/10386>C>11374>C>11611>C>11640>D>R [IFDReference 1182 https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=3>as>37-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=3 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11640>D>R [IFDReference 1181 https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=2>as>37-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=2 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11640>D>R [IFDReference 1183 https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=4>as>37-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=4 doi:null] @@ -1005,7 +1005,7 @@ 10.14469/hpc/10386>C>11374>C>11611>C>11640>D>R [IFDReference 1185 https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=6>as>37.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=6 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11640>D>R [IFDReference 1186 https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=7>as>37.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=7 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11640>D>R [IFDReference 1184 https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=5>as>37.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11640&file=5 doi:null] -10.14469/hpc/10386>C>11374>C>11611>C>11639> [IFDReference 1187 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11639>as>10.14469_hpc_11639.xml url:null doi:https://doi.org/10.14469/hpc/11639] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 1H, 13C, HMQC +10.14469/hpc/10386>C>11374>C>11611>C>11639> [IFDReference 1187 https://doi.org/10.14469/hpc/11639>as>null url:null doi:https://doi.org/10.14469/hpc/11639] NMR Data for Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride (37), 1H, 13C, HMQC 10.14469/hpc/10386>C>11374>C>11611>C>11639>D>R [IFDReference 1190 https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=3>as>37-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=3 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11639>D>R [IFDReference 1189 https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=2>as>37-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=2 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11639>D>R [IFDReference 1191 https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=4>as>37-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=4 doi:null] @@ -1013,7 +1013,7 @@ 10.14469/hpc/10386>C>11374>C>11611>C>11639>D>R [IFDReference 1193 https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=6>as>37.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=6 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11639>D>R [IFDReference 1194 https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=7>as>37.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=7 doi:null] 10.14469/hpc/10386>C>11374>C>11611>C>11639>D>R [IFDReference 1192 https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=5>as>37.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11639&file=5 doi:null] -10.14469/hpc/10386>C>11374>C>11391> [IFDReference 1195 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11391>as>10.14469_hpc_11391.xml url:null doi:https://doi.org/10.14469/hpc/11391] Primary crystal structure data for Compound 37. Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride +10.14469/hpc/10386>C>11374>C>11391> [IFDReference 1195 https://doi.org/10.14469/hpc/11391>as>null url:null doi:https://doi.org/10.14469/hpc/11391] Primary crystal structure data for Compound 37. Cyclopentadienyl-bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium chloride 10.14469/hpc/10386>C>11374>C>11391>D>R [IFDReference 1202 https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=7>as>37.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=7 doi:null] 10.14469/hpc/10386>C>11374>C>11391>D>R [IFDReference 1201 https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=6>as>37.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=6 doi:null] 10.14469/hpc/10386>C>11374>C>11391>D>R [IFDReference 1197 https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=2>as>AB2149.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=2 doi:null] @@ -1021,31 +1021,31 @@ 10.14469/hpc/10386>C>11374>C>11391>D>R [IFDReference 1196 https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=1>as>AB2149.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=1 doi:null] 10.14469/hpc/10386>C>11374>C>11391>D>R [IFDReference 1199 https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=4>as>AB2149.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=4 doi:null] 10.14469/hpc/10386>C>11374>C>11391>D>R [IFDReference 1200 https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=5>as>AB2149.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11391&file=5 doi:null] -10.14469/hpc/10386>C>11374>C>11391>D>ccdc.csd.cc2d6q5j> [IFDReference 1203 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6q5j>as>10.5517_ccdc.csd.cc2d6q5j.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q5j] CCDC 2210987: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11748> [IFDReference 1204 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11748>as>10.14469_hpc_11748.xml url:null doi:https://doi.org/10.14469/hpc/11748] Compound 74: Bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)dioxouranium -10.14469/hpc/10386>C>11748>C>12402> [IFDReference 1205 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/12402>as>10.14469_hpc_12402.xml url:null doi:https://doi.org/10.14469/hpc/12402] Crystal data for compound 74. +10.14469/hpc/10386>C>11374>C>11391>D>ccdc.csd.cc2d6q5j> [IFDReference 1203 https://doi.org/10.5517/ccdc.csd.cc2d6q5j>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q5j] CCDC 2210987: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11748> [IFDReference 1204 https://doi.org/10.14469/hpc/11748>as>null url:null doi:https://doi.org/10.14469/hpc/11748] Compound 74: Bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)dioxouranium +10.14469/hpc/10386>C>11748>C>12402> [IFDReference 1205 https://doi.org/10.14469/hpc/12402>as>null url:null doi:https://doi.org/10.14469/hpc/12402] Crystal data for compound 74. 10.14469/hpc/10386>C>11748>C>12402>D>R [IFDReference 1207 https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=2>as>LBTML2.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=2 doi:null] 10.14469/hpc/10386>C>11748>C>12402>D>R [IFDReference 1208 https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=3>as>LBTML2.7z.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=3 doi:null] 10.14469/hpc/10386>C>11748>C>12402>D>R [IFDReference 1206 https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=1>as>LBTML2.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=1 doi:null] 10.14469/hpc/10386>C>11748>C>12402>D>R [IFDReference 1209 https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=4>as>LBTML2.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=4 doi:null] 10.14469/hpc/10386>C>11748>C>12402>D>R [IFDReference 1210 https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=5>as>LBTML2.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=12402&file=5 doi:null] -10.14469/hpc/10386>C>11400> [IFDReference 1211 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11400>as>10.14469_hpc_11400.xml url:null doi:https://doi.org/10.14469/hpc/11400] Compound 53: Bis(ethanol) bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper -10.14469/hpc/10386>C>11400>C>11496> [IFDReference 1212 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11496>as>10.14469_hpc_11496.xml url:null doi:https://doi.org/10.14469/hpc/11496] IR data for Compound 53. +10.14469/hpc/10386>C>11400> [IFDReference 1211 https://doi.org/10.14469/hpc/11400>as>null url:null doi:https://doi.org/10.14469/hpc/11400] Compound 53: Bis(ethanol) bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper +10.14469/hpc/10386>C>11400>C>11496> [IFDReference 1212 https://doi.org/10.14469/hpc/11496>as>null url:null doi:https://doi.org/10.14469/hpc/11496] IR data for Compound 53. 10.14469/hpc/10386>C>11400>C>11496>D>R [IFDReference 1217 https://data.hpc.imperial.ac.uk/resolve/?doi=11496&file=5>as>53.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11496&file=5 doi:null] 10.14469/hpc/10386>C>11400>C>11496>D>R [IFDReference 1219 https://data.hpc.imperial.ac.uk/resolve/?doi=11496&file=7>as>53.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11496&file=7 doi:null] 10.14469/hpc/10386>C>11400>C>11496>D>R [IFDReference 1218 https://data.hpc.imperial.ac.uk/resolve/?doi=11496&file=6>as>53.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11496&file=6 doi:null] 10.14469/hpc/10386>C>11400>C>11496>D>R [IFDReference 1213 https://data.hpc.imperial.ac.uk/resolve/?doi=11496&file=1>as>TM-VI-192_2021-12-05T18-25-32.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11496&file=1 doi:null] -10.14469/hpc/10386>C>11400>C>11421> [IFDReference 1220 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11421>as>10.14469_hpc_11421.xml url:null doi:https://doi.org/10.14469/hpc/11421] Primary crystal structure data for Compound 53. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper +10.14469/hpc/10386>C>11400>C>11421> [IFDReference 1220 https://doi.org/10.14469/hpc/11421>as>null url:null doi:https://doi.org/10.14469/hpc/11421] Primary crystal structure data for Compound 53. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper 10.14469/hpc/10386>C>11400>C>11421>D>R [IFDReference 1225 https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=5>as>53.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=5 doi:null] 10.14469/hpc/10386>C>11400>C>11421>D>R [IFDReference 1227 https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=7>as>53.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=7 doi:null] 10.14469/hpc/10386>C>11400>C>11421>D>R [IFDReference 1226 https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=6>as>53.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=6 doi:null] 10.14469/hpc/10386>C>11400>C>11421>D>R [IFDReference 1222 https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=2>as>AB2208.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=2 doi:null] 10.14469/hpc/10386>C>11400>C>11421>D>R [IFDReference 1221 https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=1>as>AB2208.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=1 doi:null] 10.14469/hpc/10386>C>11400>C>11421>D>R [IFDReference 1223 https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=3>as>AB2208.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11421&file=3 doi:null] -10.14469/hpc/10386>C>11400>C>11421>D>ccdc.csd.cc2d6qkx> [IFDReference 1228 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qkx>as>10.5517_ccdc.csd.cc2d6qkx.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qkx] CCDC 2210999: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11373> [IFDReference 1229 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11373>as>10.14469_hpc_11373.xml url:null doi:https://doi.org/10.14469/hpc/11373] Compound 34: Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium -10.14469/hpc/10386>C>11373>C>11617> [IFDReference 1230 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11617>as>10.14469_hpc_11617.xml url:null doi:https://doi.org/10.14469/hpc/11617] NMR Data for Compound 34. -10.14469/hpc/10386>C>11373>C>11617>C>11619> [IFDReference 1231 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11619>as>10.14469_hpc_11619.xml url:null doi:https://doi.org/10.14469/hpc/11619] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 13C, acetone-d6 +10.14469/hpc/10386>C>11400>C>11421>D>ccdc.csd.cc2d6qkx> [IFDReference 1228 https://doi.org/10.5517/ccdc.csd.cc2d6qkx>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qkx] CCDC 2210999: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11373> [IFDReference 1229 https://doi.org/10.14469/hpc/11373>as>null url:null doi:https://doi.org/10.14469/hpc/11373] Compound 34: Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium +10.14469/hpc/10386>C>11373>C>11617> [IFDReference 1230 https://doi.org/10.14469/hpc/11617>as>null url:null doi:https://doi.org/10.14469/hpc/11617] NMR Data for Compound 34. +10.14469/hpc/10386>C>11373>C>11617>C>11619> [IFDReference 1231 https://doi.org/10.14469/hpc/11619>as>null url:null doi:https://doi.org/10.14469/hpc/11619] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 13C, acetone-d6 10.14469/hpc/10386>C>11373>C>11617>C>11619>D>R [IFDReference 1234 https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=3>as>34-in acetone-d6 13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11619>D>R [IFDReference 1233 https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=2>as>34-in acetone-d6 13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11619>D>R [IFDReference 1235 https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=4>as>34-in acetone-d6 13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=4 doi:null] @@ -1053,7 +1053,7 @@ 10.14469/hpc/10386>C>11373>C>11617>C>11619>D>R [IFDReference 1237 https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=6>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=6 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11619>D>R [IFDReference 1238 https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=7>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=7 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11619>D>R [IFDReference 1236 https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11619&file=5 doi:null] -10.14469/hpc/10386>C>11373>C>11617>C>11620> [IFDReference 1239 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11620>as>10.14469_hpc_11620.xml url:null doi:https://doi.org/10.14469/hpc/11620] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, 13C, HSQC, acetone-d6 +10.14469/hpc/10386>C>11373>C>11617>C>11620> [IFDReference 1239 https://doi.org/10.14469/hpc/11620>as>null url:null doi:https://doi.org/10.14469/hpc/11620] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, 13C, HSQC, acetone-d6 10.14469/hpc/10386>C>11373>C>11617>C>11620>D>R [IFDReference 1242 https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=3>as>34-in acetone-d6 hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11620>D>R [IFDReference 1241 https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=2>as>34-in acetone-d6 hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11620>D>R [IFDReference 1243 https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=4>as>34-in acetone-d6 hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=4 doi:null] @@ -1061,7 +1061,7 @@ 10.14469/hpc/10386>C>11373>C>11617>C>11620>D>R [IFDReference 1245 https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=6>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=6 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11620>D>R [IFDReference 1246 https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=7>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=7 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11620>D>R [IFDReference 1244 https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11620&file=5 doi:null] -10.14469/hpc/10386>C>11373>C>11617>C>11618> [IFDReference 1247 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11618>as>10.14469_hpc_11618.xml url:null doi:https://doi.org/10.14469/hpc/11618] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, acetone-d6 +10.14469/hpc/10386>C>11373>C>11617>C>11618> [IFDReference 1247 https://doi.org/10.14469/hpc/11618>as>null url:null doi:https://doi.org/10.14469/hpc/11618] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, acetone-d6 10.14469/hpc/10386>C>11373>C>11617>C>11618>D>R [IFDReference 1250 https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=3>as>34-in acetone-d6 1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11618>D>R [IFDReference 1249 https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=2>as>34-in acetone-d6 1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11618>D>R [IFDReference 1251 https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=4>as>34-in acetone-d6 1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=4 doi:null] @@ -1069,7 +1069,7 @@ 10.14469/hpc/10386>C>11373>C>11617>C>11618>D>R [IFDReference 1253 https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=6>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=6 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11618>D>R [IFDReference 1254 https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=7>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=7 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11618>D>R [IFDReference 1252 https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11618&file=5 doi:null] -10.14469/hpc/10386>C>11373>C>11617>C>11623> [IFDReference 1255 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11623>as>10.14469_hpc_11623.xml url:null doi:https://doi.org/10.14469/hpc/11623] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 13C, CDCl3 +10.14469/hpc/10386>C>11373>C>11617>C>11623> [IFDReference 1255 https://doi.org/10.14469/hpc/11623>as>null url:null doi:https://doi.org/10.14469/hpc/11623] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 13C, CDCl3 10.14469/hpc/10386>C>11373>C>11617>C>11623>D>R [IFDReference 1258 https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=3>as>34-in CDCl3 13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11623>D>R [IFDReference 1257 https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=2>as>34-in CDCl3 13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11623>D>R [IFDReference 1259 https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=4>as>34-in CDCl3 13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=4 doi:null] @@ -1077,7 +1077,7 @@ 10.14469/hpc/10386>C>11373>C>11617>C>11623>D>R [IFDReference 1261 https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=6>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=6 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11623>D>R [IFDReference 1262 https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=7>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=7 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11623>D>R [IFDReference 1260 https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11623&file=5 doi:null] -10.14469/hpc/10386>C>11373>C>11617>C>11626> [IFDReference 1263 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11626>as>10.14469_hpc_11626.xml url:null doi:https://doi.org/10.14469/hpc/11626] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, 13C, HMBC, CDCl3 +10.14469/hpc/10386>C>11373>C>11617>C>11626> [IFDReference 1263 https://doi.org/10.14469/hpc/11626>as>null url:null doi:https://doi.org/10.14469/hpc/11626] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, 13C, HMBC, CDCl3 10.14469/hpc/10386>C>11373>C>11617>C>11626>D>R [IFDReference 1266 https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=3>as>34-in CDCl3 hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11626>D>R [IFDReference 1265 https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=2>as>34-in CDCl3 hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11626>D>R [IFDReference 1267 https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=4>as>34-in CDCl3 hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=4 doi:null] @@ -1085,7 +1085,7 @@ 10.14469/hpc/10386>C>11373>C>11617>C>11626>D>R [IFDReference 1269 https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=6>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=6 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11626>D>R [IFDReference 1270 https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=7>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=7 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11626>D>R [IFDReference 1268 https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11626&file=5 doi:null] -10.14469/hpc/10386>C>11373>C>11617>C>11622> [IFDReference 1271 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11622>as>10.14469_hpc_11622.xml url:null doi:https://doi.org/10.14469/hpc/11622] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, CDCl3 +10.14469/hpc/10386>C>11373>C>11617>C>11622> [IFDReference 1271 https://doi.org/10.14469/hpc/11622>as>null url:null doi:https://doi.org/10.14469/hpc/11622] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, CDCl3 10.14469/hpc/10386>C>11373>C>11617>C>11622>D>R [IFDReference 1274 https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=3>as>34-in CDCl3 1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11622>D>R [IFDReference 1273 https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=2>as>34-in CDCl3 1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11622>D>R [IFDReference 1275 https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=4>as>34-in CDCl3 1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=4 doi:null] @@ -1093,7 +1093,7 @@ 10.14469/hpc/10386>C>11373>C>11617>C>11622>D>R [IFDReference 1277 https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=6>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=6 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11622>D>R [IFDReference 1278 https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=7>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=7 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11622>D>R [IFDReference 1276 https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11622&file=5 doi:null] -10.14469/hpc/10386>C>11373>C>11617>C>11625> [IFDReference 1280 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11625>as>10.14469_hpc_11625.xml url:null doi:https://doi.org/10.14469/hpc/11625] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, 13C, HMQC, CDCl3 +10.14469/hpc/10386>C>11373>C>11617>C>11625> [IFDReference 1280 https://doi.org/10.14469/hpc/11625>as>null url:null doi:https://doi.org/10.14469/hpc/11625] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, 13C, HMQC, CDCl3 10.14469/hpc/10386>C>11373>C>11617>C>11625>D>R [IFDReference 1283 https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=3>as>34-in CDCl3 hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11625>D>R [IFDReference 1282 https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=2>as>34-in CDCl3 hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11625>D>R [IFDReference 1284 https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=4>as>34-in CDCl3 hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=4 doi:null] @@ -1101,7 +1101,7 @@ 10.14469/hpc/10386>C>11373>C>11617>C>11625>D>R [IFDReference 1286 https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=6>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=6 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11625>D>R [IFDReference 1287 https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=7>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=7 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11625>D>R [IFDReference 1285 https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11625&file=5 doi:null] -10.14469/hpc/10386>C>11373>C>11617>C>11621> [IFDReference 1288 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11621>as>10.14469_hpc_11621.xml url:null doi:https://doi.org/10.14469/hpc/11621] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, 13C, HMBC, acetone-d6 +10.14469/hpc/10386>C>11373>C>11617>C>11621> [IFDReference 1288 https://doi.org/10.14469/hpc/11621>as>null url:null doi:https://doi.org/10.14469/hpc/11621] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, 13C, HMBC, acetone-d6 10.14469/hpc/10386>C>11373>C>11617>C>11621>D>R [IFDReference 1291 https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=3>as>34-in acetone-d6 hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11621>D>R [IFDReference 1290 https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=2>as>34-in acetone-d6 hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11621>D>R [IFDReference 1292 https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=4>as>34-in acetone-d6 hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=4 doi:null] @@ -1109,7 +1109,7 @@ 10.14469/hpc/10386>C>11373>C>11617>C>11621>D>R [IFDReference 1294 https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=6>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=6 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11621>D>R [IFDReference 1295 https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=7>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=7 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11621>D>R [IFDReference 1293 https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11621&file=5 doi:null] -10.14469/hpc/10386>C>11373>C>11617>C>11624> [IFDReference 1296 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11624>as>10.14469_hpc_11624.xml url:null doi:https://doi.org/10.14469/hpc/11624] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, COSY, CDCl3 +10.14469/hpc/10386>C>11373>C>11617>C>11624> [IFDReference 1296 https://doi.org/10.14469/hpc/11624>as>null url:null doi:https://doi.org/10.14469/hpc/11624] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, COSY, CDCl3 10.14469/hpc/10386>C>11373>C>11617>C>11624>D>R [IFDReference 1299 https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=3>as>34-in CDCl3 cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11624>D>R [IFDReference 1298 https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=2>as>34-in CDCl3 cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11624>D>R [IFDReference 1300 https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=4>as>34-in CDCl3 cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=4 doi:null] @@ -1117,37 +1117,37 @@ 10.14469/hpc/10386>C>11373>C>11617>C>11624>D>R [IFDReference 1302 https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=6>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=6 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11624>D>R [IFDReference 1303 https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=7>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=7 doi:null] 10.14469/hpc/10386>C>11373>C>11617>C>11624>D>R [IFDReference 1301 https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11624&file=5 doi:null] -10.14469/hpc/10386>C>11373>C>11616> [IFDReference 1304 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11616>as>10.14469_hpc_11616.xml url:null doi:https://doi.org/10.14469/hpc/11616] IR Data for Compound 34. +10.14469/hpc/10386>C>11373>C>11616> [IFDReference 1304 https://doi.org/10.14469/hpc/11616>as>null url:null doi:https://doi.org/10.14469/hpc/11616] IR Data for Compound 34. 10.14469/hpc/10386>C>11373>C>11616>D>R [IFDReference 1307 https://data.hpc.imperial.ac.uk/resolve/?doi=11616&file=3>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11616&file=3 doi:null] 10.14469/hpc/10386>C>11373>C>11616>D>R [IFDReference 1308 https://data.hpc.imperial.ac.uk/resolve/?doi=11616&file=4>as>34.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11616&file=4 doi:null] 10.14469/hpc/10386>C>11373>C>11616>D>R [IFDReference 1306 https://data.hpc.imperial.ac.uk/resolve/?doi=11616&file=2>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11616&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11616>D>R [IFDReference 1305 https://data.hpc.imperial.ac.uk/resolve/?doi=11616&file=1>as>TM-VI-137_2021-10-27T13-30-32.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11616&file=1 doi:null] -10.14469/hpc/10386>C>11373>C>11390> [IFDReference 1309 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11390>as>10.14469_hpc_11390.xml url:null doi:https://doi.org/10.14469/hpc/11390] Primary crystal structure data for Compound 34. Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium +10.14469/hpc/10386>C>11373>C>11390> [IFDReference 1309 https://doi.org/10.14469/hpc/11390>as>null url:null doi:https://doi.org/10.14469/hpc/11390] Primary crystal structure data for Compound 34. Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium 10.14469/hpc/10386>C>11373>C>11390>D>R [IFDReference 1313 https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=4>as>34.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=4 doi:null] 10.14469/hpc/10386>C>11373>C>11390>D>R [IFDReference 1314 https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=5>as>34.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=5 doi:null] 10.14469/hpc/10386>C>11373>C>11390>D>R [IFDReference 1311 https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=2>as>AB2124.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=2 doi:null] 10.14469/hpc/10386>C>11373>C>11390>D>R [IFDReference 1310 https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=1>as>AB2124.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=1 doi:null] 10.14469/hpc/10386>C>11373>C>11390>D>R [IFDReference 1312 https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=3>as>AB2124.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11390&file=3 doi:null] -10.14469/hpc/10386>C>11373>C>11390>D>ccdc.csd.cc2d6q4h> [IFDReference 1315 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6q4h>as>10.5517_ccdc.csd.cc2d6q4h.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q4h] CCDC 2210986: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11749> [IFDReference 1316 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11749>as>10.14469_hpc_11749.xml url:null doi:https://doi.org/10.14469/hpc/11749] Compound 75: Bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)dioxouranium -10.14469/hpc/10386>C>11749>C>12508> [IFDReference 1317 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/12508>as>10.14469_hpc_12508.xml url:null doi:https://doi.org/10.14469/hpc/12508] Primary crystal structure data for Compound 75. Bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)dioxouranium +10.14469/hpc/10386>C>11373>C>11390>D>ccdc.csd.cc2d6q4h> [IFDReference 1315 https://doi.org/10.5517/ccdc.csd.cc2d6q4h>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q4h] CCDC 2210986: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11749> [IFDReference 1316 https://doi.org/10.14469/hpc/11749>as>null url:null doi:https://doi.org/10.14469/hpc/11749] Compound 75: Bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)dioxouranium +10.14469/hpc/10386>C>11749>C>12508> [IFDReference 1317 https://doi.org/10.14469/hpc/12508>as>null url:null doi:https://doi.org/10.14469/hpc/12508] Primary crystal structure data for Compound 75. Bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)dioxouranium 10.14469/hpc/10386>C>11749>C>12508>D>R [IFDReference 1323 https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=6>as>75.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=6 doi:null] 10.14469/hpc/10386>C>11749>C>12508>D>R [IFDReference 1324 https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=7>as>75.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=7 doi:null] 10.14469/hpc/10386>C>11749>C>12508>D>R [IFDReference 1318 https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=1>as>AB2307.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=1 doi:null] 10.14469/hpc/10386>C>11749>C>12508>D>R [IFDReference 1321 https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=4>as>AB2307.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=4 doi:null] 10.14469/hpc/10386>C>11749>C>12508>D>R [IFDReference 1319 https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=2>as>AB2307.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=12508&file=2 doi:null] -10.14469/hpc/10386>C>11749>C>12508>D>ccdc.csd.cc2ftf6x> [IFDReference 1325 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2ftf6x>as>10.5517_ccdc.csd.cc2ftf6x.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2ftf6x] CCDC 2258759: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11733> [IFDReference 1326 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11733>as>10.14469_hpc_11733.xml url:null doi:https://doi.org/10.14469/hpc/11733] Compound 52: Bis(ethanol) bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)zinc +10.14469/hpc/10386>C>11749>C>12508>D>ccdc.csd.cc2ftf6x> [IFDReference 1325 https://doi.org/10.5517/ccdc.csd.cc2ftf6x>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2ftf6x] CCDC 2258759: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11733> [IFDReference 1326 https://doi.org/10.14469/hpc/11733>as>null url:null doi:https://doi.org/10.14469/hpc/11733] Compound 52: Bis(ethanol) bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)zinc 10.14469/hpc/10386>C>11733>C>R [IFDReference 1328 https://data.hpc.imperial.ac.uk/resolve/?doi=11733&file=2>as>52.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11733&file=2 doi:null] 10.14469/hpc/10386>C>11733>C>R [IFDReference 1330 https://data.hpc.imperial.ac.uk/resolve/?doi=11733&file=4>as>52.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11733&file=4 doi:null] 10.14469/hpc/10386>C>11733>C>R [IFDReference 1329 https://data.hpc.imperial.ac.uk/resolve/?doi=11733&file=3>as>52.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11733&file=3 doi:null] -10.14469/hpc/10386>C>11726> [IFDReference 1331 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11726>as>10.14469_hpc_11726.xml url:null doi:https://doi.org/10.14469/hpc/11726] Compound 44. Bis(ethanol) bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)manganese +10.14469/hpc/10386>C>11726> [IFDReference 1331 https://doi.org/10.14469/hpc/11726>as>null url:null doi:https://doi.org/10.14469/hpc/11726] Compound 44. Bis(ethanol) bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)manganese 10.14469/hpc/10386>C>11726>C>R [IFDReference 1333 https://data.hpc.imperial.ac.uk/resolve/?doi=11726&file=2>as>44.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11726&file=2 doi:null] 10.14469/hpc/10386>C>11726>C>R [IFDReference 1335 https://data.hpc.imperial.ac.uk/resolve/?doi=11726&file=4>as>44.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11726&file=4 doi:null] 10.14469/hpc/10386>C>11726>C>R [IFDReference 1334 https://data.hpc.imperial.ac.uk/resolve/?doi=11726&file=3>as>44.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11726&file=3 doi:null] -10.14469/hpc/10386>C>11399> [IFDReference 1336 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11399>as>10.14469_hpc_11399.xml url:null doi:https://doi.org/10.14469/hpc/11399] Compound 50: Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc -10.14469/hpc/10386>C>11399>C>11658> [IFDReference 1337 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11658>as>10.14469_hpc_11658.xml url:null doi:https://doi.org/10.14469/hpc/11658] NMR Data for Compound 50. -10.14469/hpc/10386>C>11399>C>11658>C>11664> [IFDReference 1338 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11664>as>10.14469_hpc_11664.xml url:null doi:https://doi.org/10.14469/hpc/11664] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 1H +10.14469/hpc/10386>C>11399> [IFDReference 1336 https://doi.org/10.14469/hpc/11399>as>null url:null doi:https://doi.org/10.14469/hpc/11399] Compound 50: Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc +10.14469/hpc/10386>C>11399>C>11658> [IFDReference 1337 https://doi.org/10.14469/hpc/11658>as>null url:null doi:https://doi.org/10.14469/hpc/11658] NMR Data for Compound 50. +10.14469/hpc/10386>C>11399>C>11658>C>11664> [IFDReference 1338 https://doi.org/10.14469/hpc/11664>as>null url:null doi:https://doi.org/10.14469/hpc/11664] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 1H 10.14469/hpc/10386>C>11399>C>11658>C>11664>D>R [IFDReference 1341 https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=3>as>50-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=3 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11664>D>R [IFDReference 1340 https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=2>as>50-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=2 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11664>D>R [IFDReference 1342 https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=4>as>50-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=4 doi:null] @@ -1155,7 +1155,7 @@ 10.14469/hpc/10386>C>11399>C>11658>C>11664>D>R [IFDReference 1349 https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=11>as>50.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=11 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11664>D>R [IFDReference 1351 https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=13>as>50.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=13 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11664>D>R [IFDReference 1350 https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=12>as>50.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11664&file=12 doi:null] -10.14469/hpc/10386>C>11399>C>11658>C>11665> [IFDReference 1352 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11665>as>10.14469_hpc_11665.xml url:null doi:https://doi.org/10.14469/hpc/11665] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 13C +10.14469/hpc/10386>C>11399>C>11658>C>11665> [IFDReference 1352 https://doi.org/10.14469/hpc/11665>as>null url:null doi:https://doi.org/10.14469/hpc/11665] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 13C 10.14469/hpc/10386>C>11399>C>11658>C>11665>D>R [IFDReference 1355 https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=3>as>50-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=3 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11665>D>R [IFDReference 1354 https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=2>as>50-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=2 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11665>D>R [IFDReference 1356 https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=4>as>50-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=4 doi:null] @@ -1163,7 +1163,7 @@ 10.14469/hpc/10386>C>11399>C>11658>C>11665>D>R [IFDReference 1363 https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=11>as>50.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=11 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11665>D>R [IFDReference 1365 https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=13>as>50.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=13 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11665>D>R [IFDReference 1364 https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=12>as>50.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11665&file=12 doi:null] -10.14469/hpc/10386>C>11399>C>11658>C>11666> [IFDReference 1366 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11666>as>10.14469_hpc_11666.xml url:null doi:https://doi.org/10.14469/hpc/11666] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 1H, COSY +10.14469/hpc/10386>C>11399>C>11658>C>11666> [IFDReference 1366 https://doi.org/10.14469/hpc/11666>as>null url:null doi:https://doi.org/10.14469/hpc/11666] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 1H, COSY 10.14469/hpc/10386>C>11399>C>11658>C>11666>D>R [IFDReference 1369 https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=3>as>50-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=3 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11666>D>R [IFDReference 1368 https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=2>as>50-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=2 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11666>D>R [IFDReference 1370 https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=4>as>50-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=4 doi:null] @@ -1171,7 +1171,7 @@ 10.14469/hpc/10386>C>11399>C>11658>C>11666>D>R [IFDReference 1377 https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=11>as>50.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=11 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11666>D>R [IFDReference 1379 https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=13>as>50.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=13 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11666>D>R [IFDReference 1378 https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=12>as>50.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11666&file=12 doi:null] -10.14469/hpc/10386>C>11399>C>11658>C>11667> [IFDReference 1380 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11667>as>10.14469_hpc_11667.xml url:null doi:https://doi.org/10.14469/hpc/11667] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 1H, 13C, HSQC +10.14469/hpc/10386>C>11399>C>11658>C>11667> [IFDReference 1380 https://doi.org/10.14469/hpc/11667>as>null url:null doi:https://doi.org/10.14469/hpc/11667] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 1H, 13C, HSQC 10.14469/hpc/10386>C>11399>C>11658>C>11667>D>R [IFDReference 1383 https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=3>as>50-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=3 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11667>D>R [IFDReference 1382 https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=2>as>50-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=2 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11667>D>R [IFDReference 1384 https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=4>as>50-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=4 doi:null] @@ -1179,7 +1179,7 @@ 10.14469/hpc/10386>C>11399>C>11658>C>11667>D>R [IFDReference 1391 https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=11>as>50.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=11 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11667>D>R [IFDReference 1392 https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=12>as>50.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=12 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11667>D>R [IFDReference 1393 https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=13>as>50.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11667&file=13 doi:null] -10.14469/hpc/10386>C>11399>C>11658>C>11668> [IFDReference 1394 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11668>as>10.14469_hpc_11668.xml url:null doi:https://doi.org/10.14469/hpc/11668] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 1H, 13C, HMBC +10.14469/hpc/10386>C>11399>C>11658>C>11668> [IFDReference 1394 https://doi.org/10.14469/hpc/11668>as>null url:null doi:https://doi.org/10.14469/hpc/11668] NMR Data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc (50), 1H, 13C, HMBC 10.14469/hpc/10386>C>11399>C>11658>C>11668>D>R [IFDReference 1397 https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=3>as>50-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=3 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11668>D>R [IFDReference 1396 https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=2>as>50-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=2 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11668>D>R [IFDReference 1398 https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=4>as>50-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=4 doi:null] @@ -1187,12 +1187,12 @@ 10.14469/hpc/10386>C>11399>C>11658>C>11668>D>R [IFDReference 1405 https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=11>as>50.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=11 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11668>D>R [IFDReference 1407 https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=13>as>50.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=13 doi:null] 10.14469/hpc/10386>C>11399>C>11658>C>11668>D>R [IFDReference 1406 https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=12>as>50.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11668&file=12 doi:null] -10.14469/hpc/10386>C>11399>C>11657> [IFDReference 1408 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11657>as>10.14469_hpc_11657.xml url:null doi:https://doi.org/10.14469/hpc/11657] IR Data for Compound 50. +10.14469/hpc/10386>C>11399>C>11657> [IFDReference 1408 https://doi.org/10.14469/hpc/11657>as>null url:null doi:https://doi.org/10.14469/hpc/11657] IR Data for Compound 50. 10.14469/hpc/10386>C>11399>C>11657>D>R [IFDReference 1416 https://data.hpc.imperial.ac.uk/resolve/?doi=11657&file=8>as>50.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11657&file=8 doi:null] 10.14469/hpc/10386>C>11399>C>11657>D>R [IFDReference 1418 https://data.hpc.imperial.ac.uk/resolve/?doi=11657&file=10>as>50.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11657&file=10 doi:null] 10.14469/hpc/10386>C>11399>C>11657>D>R [IFDReference 1417 https://data.hpc.imperial.ac.uk/resolve/?doi=11657&file=9>as>50.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11657&file=9 doi:null] 10.14469/hpc/10386>C>11399>C>11657>D>R [IFDReference 1409 https://data.hpc.imperial.ac.uk/resolve/?doi=11657&file=1>as>TM-VI-147_2021-11-10T16-45-51.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11657&file=1 doi:null] -10.14469/hpc/10386>C>11399>C>11420> [IFDReference 1419 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11420>as>10.14469_hpc_11420.xml url:null doi:https://doi.org/10.14469/hpc/11420] Primary crystal structure data for Compound 50. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc +10.14469/hpc/10386>C>11399>C>11420> [IFDReference 1419 https://doi.org/10.14469/hpc/11420>as>null url:null doi:https://doi.org/10.14469/hpc/11420] Primary crystal structure data for Compound 50. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zinc 10.14469/hpc/10386>C>11399>C>11420>D>R [IFDReference 1425 https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=6>as>50.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=6 doi:null] 10.14469/hpc/10386>C>11399>C>11420>D>R [IFDReference 1427 https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=8>as>50.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=8 doi:null] 10.14469/hpc/10386>C>11399>C>11420>D>R [IFDReference 1426 https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=7>as>50.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=7 doi:null] @@ -1201,10 +1201,10 @@ 10.14469/hpc/10386>C>11399>C>11420>D>R [IFDReference 1420 https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=1>as>AB2128.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=1 doi:null] 10.14469/hpc/10386>C>11399>C>11420>D>R [IFDReference 1423 https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=4>as>AB2128.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=4 doi:null] 10.14469/hpc/10386>C>11399>C>11420>D>R [IFDReference 1424 https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=5>as>AB2128.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11420&file=5 doi:null] -10.14469/hpc/10386>C>11399>C>11420>D>ccdc.csd.cc2d6qfs> [IFDReference 1428 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qfs>as>10.5517_ccdc.csd.cc2d6qfs.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qfs] CCDC 2210995: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11372> [IFDReference 1429 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11372>as>10.14469_hpc_11372.xml url:null doi:https://doi.org/10.14469/hpc/11372] Compound 33: Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium -10.14469/hpc/10386>C>11372>C>11615> [IFDReference 1430 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11615>as>10.14469_hpc_11615.xml url:null doi:https://doi.org/10.14469/hpc/11615] NMR Data for Compound 33. -10.14469/hpc/10386>C>11372>C>11615>C>11633> [IFDReference 1431 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11633>as>10.14469_hpc_11633.xml url:null doi:https://doi.org/10.14469/hpc/11633] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, COSY, CDCl3 +10.14469/hpc/10386>C>11399>C>11420>D>ccdc.csd.cc2d6qfs> [IFDReference 1428 https://doi.org/10.5517/ccdc.csd.cc2d6qfs>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qfs] CCDC 2210995: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11372> [IFDReference 1429 https://doi.org/10.14469/hpc/11372>as>null url:null doi:https://doi.org/10.14469/hpc/11372] Compound 33: Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium +10.14469/hpc/10386>C>11372>C>11615> [IFDReference 1430 https://doi.org/10.14469/hpc/11615>as>null url:null doi:https://doi.org/10.14469/hpc/11615] NMR Data for Compound 33. +10.14469/hpc/10386>C>11372>C>11615>C>11633> [IFDReference 1431 https://doi.org/10.14469/hpc/11633>as>null url:null doi:https://doi.org/10.14469/hpc/11633] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, COSY, CDCl3 10.14469/hpc/10386>C>11372>C>11615>C>11633>D>R [IFDReference 1434 https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=3>as>33-in CDCl3 cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11633>D>R [IFDReference 1433 https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=2>as>33-in CDCl3 cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11633>D>R [IFDReference 1435 https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=4>as>33-in CDCl3 cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=4 doi:null] @@ -1212,7 +1212,7 @@ 10.14469/hpc/10386>C>11372>C>11615>C>11633>D>R [IFDReference 1437 https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=6>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11633>D>R [IFDReference 1438 https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=7>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=7 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11633>D>R [IFDReference 1436 https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=5>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11633&file=5 doi:null] -10.14469/hpc/10386>C>11372>C>11615>C>11632> [IFDReference 1439 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11632>as>10.14469_hpc_11632.xml url:null doi:https://doi.org/10.14469/hpc/11632] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 13C, CDCl3 +10.14469/hpc/10386>C>11372>C>11615>C>11632> [IFDReference 1439 https://doi.org/10.14469/hpc/11632>as>null url:null doi:https://doi.org/10.14469/hpc/11632] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 13C, CDCl3 10.14469/hpc/10386>C>11372>C>11615>C>11632>D>R [IFDReference 1442 https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=3>as>33-in CDCl3 13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11632>D>R [IFDReference 1441 https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=2>as>33-in CDCl3 13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11632>D>R [IFDReference 1443 https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=4>as>33-in CDCl3 13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=4 doi:null] @@ -1220,7 +1220,7 @@ 10.14469/hpc/10386>C>11372>C>11615>C>11632>D>R [IFDReference 1445 https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=6>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11632>D>R [IFDReference 1446 https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=7>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=7 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11632>D>R [IFDReference 1444 https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=5>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11632&file=5 doi:null] -10.14469/hpc/10386>C>11372>C>11615>C>11631> [IFDReference 1447 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11631>as>10.14469_hpc_11631.xml url:null doi:https://doi.org/10.14469/hpc/11631] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, CDCl3 +10.14469/hpc/10386>C>11372>C>11615>C>11631> [IFDReference 1447 https://doi.org/10.14469/hpc/11631>as>null url:null doi:https://doi.org/10.14469/hpc/11631] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, CDCl3 10.14469/hpc/10386>C>11372>C>11615>C>11631>D>R [IFDReference 1450 https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=3>as>33-in CDCl3 1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11631>D>R [IFDReference 1449 https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=2>as>33-in CDCl3 1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11631>D>R [IFDReference 1451 https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=4>as>33-in CDCl3 1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=4 doi:null] @@ -1228,7 +1228,7 @@ 10.14469/hpc/10386>C>11372>C>11615>C>11631>D>R [IFDReference 1453 https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=6>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11631>D>R [IFDReference 1454 https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=7>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=7 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11631>D>R [IFDReference 1452 https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=5>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11631&file=5 doi:null] -10.14469/hpc/10386>C>11372>C>11615>C>11634> [IFDReference 1455 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11634>as>10.14469_hpc_11634.xml url:null doi:https://doi.org/10.14469/hpc/11634] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, 13C, HMQC, CDCl3 +10.14469/hpc/10386>C>11372>C>11615>C>11634> [IFDReference 1455 https://doi.org/10.14469/hpc/11634>as>null url:null doi:https://doi.org/10.14469/hpc/11634] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, 13C, HMQC, CDCl3 10.14469/hpc/10386>C>11372>C>11615>C>11634>D>R [IFDReference 1458 https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=3>as>33-in CDCl3 hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11634>D>R [IFDReference 1457 https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=2>as>33-in CDCl3 hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11634>D>R [IFDReference 1459 https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=4>as>33-in CDCl3 hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=4 doi:null] @@ -1236,7 +1236,7 @@ 10.14469/hpc/10386>C>11372>C>11615>C>11634>D>R [IFDReference 1461 https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=6>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11634>D>R [IFDReference 1462 https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=7>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=7 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11634>D>R [IFDReference 1460 https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=5>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11634&file=5 doi:null] -10.14469/hpc/10386>C>11372>C>11615>C>11630> [IFDReference 1463 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11630>as>10.14469_hpc_11630.xml url:null doi:https://doi.org/10.14469/hpc/11630] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, 13C, HMQC, acetone-d6 +10.14469/hpc/10386>C>11372>C>11615>C>11630> [IFDReference 1463 https://doi.org/10.14469/hpc/11630>as>null url:null doi:https://doi.org/10.14469/hpc/11630] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, 13C, HMQC, acetone-d6 10.14469/hpc/10386>C>11372>C>11615>C>11630>D>R [IFDReference 1466 https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=3>as>33-in acetone-d6 hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11630>D>R [IFDReference 1465 https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=2>as>33-in acetone-d6 hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11630>D>R [IFDReference 1467 https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=4>as>33-in acetone-d6 hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=4 doi:null] @@ -1244,7 +1244,7 @@ 10.14469/hpc/10386>C>11372>C>11615>C>11630>D>R [IFDReference 1469 https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=6>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11630>D>R [IFDReference 1470 https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=7>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=7 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11630>D>R [IFDReference 1468 https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=5>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11630&file=5 doi:null] -10.14469/hpc/10386>C>11372>C>11615>C>11627> [IFDReference 1471 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11627>as>10.14469_hpc_11627.xml url:null doi:https://doi.org/10.14469/hpc/11627] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, acetone-d6 +10.14469/hpc/10386>C>11372>C>11615>C>11627> [IFDReference 1471 https://doi.org/10.14469/hpc/11627>as>null url:null doi:https://doi.org/10.14469/hpc/11627] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, acetone-d6 10.14469/hpc/10386>C>11372>C>11615>C>11627>D>R [IFDReference 1474 https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=3>as>33-in acetone-d6 1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11627>D>R [IFDReference 1473 https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=2>as>33-in acetone-d6 1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11627>D>R [IFDReference 1475 https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=4>as>33-in acetone-d6 1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=4 doi:null] @@ -1252,7 +1252,7 @@ 10.14469/hpc/10386>C>11372>C>11615>C>11627>D>R [IFDReference 1477 https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=6>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11627>D>R [IFDReference 1478 https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=7>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=7 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11627>D>R [IFDReference 1476 https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=5>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11627&file=5 doi:null] -10.14469/hpc/10386>C>11372>C>11615>C>11628> [IFDReference 1479 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11628>as>10.14469_hpc_11628.xml url:null doi:https://doi.org/10.14469/hpc/11628] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 13C, acetone-d6 +10.14469/hpc/10386>C>11372>C>11615>C>11628> [IFDReference 1479 https://doi.org/10.14469/hpc/11628>as>null url:null doi:https://doi.org/10.14469/hpc/11628] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 13C, acetone-d6 10.14469/hpc/10386>C>11372>C>11615>C>11628>D>R [IFDReference 1482 https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=3>as>33-in acetone-d6 13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11628>D>R [IFDReference 1481 https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=2>as>33-in acetone-d6 13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11628>D>R [IFDReference 1483 https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=4>as>33-in acetone-d6 13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=4 doi:null] @@ -1260,7 +1260,7 @@ 10.14469/hpc/10386>C>11372>C>11615>C>11628>D>R [IFDReference 1485 https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=6>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11628>D>R [IFDReference 1486 https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=7>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=7 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11628>D>R [IFDReference 1484 https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=5>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11628&file=5 doi:null] -10.14469/hpc/10386>C>11372>C>11615>C>11635> [IFDReference 1487 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11635>as>10.14469_hpc_11635.xml url:null doi:https://doi.org/10.14469/hpc/11635] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, 13C, HMBC, CDCl3 +10.14469/hpc/10386>C>11372>C>11615>C>11635> [IFDReference 1487 https://doi.org/10.14469/hpc/11635>as>null url:null doi:https://doi.org/10.14469/hpc/11635] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, 13C, HMBC, CDCl3 10.14469/hpc/10386>C>11372>C>11615>C>11635>D>R [IFDReference 1490 https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=3>as>33-in CDCl3 hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11635>D>R [IFDReference 1489 https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=2>as>33-in CDCl3 hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11635>D>R [IFDReference 1491 https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=4>as>33-in CDCl3 hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=4 doi:null] @@ -1268,7 +1268,7 @@ 10.14469/hpc/10386>C>11372>C>11615>C>11635>D>R [IFDReference 1493 https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=6>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11635>D>R [IFDReference 1494 https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=7>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=7 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11635>D>R [IFDReference 1492 https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=5>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11635&file=5 doi:null] -10.14469/hpc/10386>C>11372>C>11615>C>11629> [IFDReference 1495 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11629>as>10.14469_hpc_11629.xml url:null doi:https://doi.org/10.14469/hpc/11629] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, 13C, HMBC, acetone-d6 +10.14469/hpc/10386>C>11372>C>11615>C>11629> [IFDReference 1495 https://doi.org/10.14469/hpc/11629>as>null url:null doi:https://doi.org/10.14469/hpc/11629] NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, 13C, HMBC, acetone-d6 10.14469/hpc/10386>C>11372>C>11615>C>11629>D>R [IFDReference 1498 https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=3>as>33-in acetone-d6 hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11629>D>R [IFDReference 1497 https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=2>as>33-in acetone-d6 hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11629>D>R [IFDReference 1499 https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=4>as>33-in acetone-d6 hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=4 doi:null] @@ -1276,26 +1276,26 @@ 10.14469/hpc/10386>C>11372>C>11615>C>11629>D>R [IFDReference 1501 https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=6>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11629>D>R [IFDReference 1502 https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=7>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=7 doi:null] 10.14469/hpc/10386>C>11372>C>11615>C>11629>D>R [IFDReference 1500 https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=5>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11629&file=5 doi:null] -10.14469/hpc/10386>C>11372>C>11614> [IFDReference 1503 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11614>as>10.14469_hpc_11614.xml url:null doi:https://doi.org/10.14469/hpc/11614] IR Data for Compound 33. +10.14469/hpc/10386>C>11372>C>11614> [IFDReference 1503 https://doi.org/10.14469/hpc/11614>as>null url:null doi:https://doi.org/10.14469/hpc/11614] IR Data for Compound 33. 10.14469/hpc/10386>C>11372>C>11614>D>R [IFDReference 1506 https://data.hpc.imperial.ac.uk/resolve/?doi=11614&file=3>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11614&file=3 doi:null] 10.14469/hpc/10386>C>11372>C>11614>D>R [IFDReference 1507 https://data.hpc.imperial.ac.uk/resolve/?doi=11614&file=4>as>33.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11614&file=4 doi:null] 10.14469/hpc/10386>C>11372>C>11614>D>R [IFDReference 1505 https://data.hpc.imperial.ac.uk/resolve/?doi=11614&file=2>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11614&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11614>D>R [IFDReference 1504 https://data.hpc.imperial.ac.uk/resolve/?doi=11614&file=1>as>TM-VI-138_2021-10-27T13-33-21.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11614&file=1 doi:null] -10.14469/hpc/10386>C>11372>C>11388> [IFDReference 1508 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11388>as>10.14469_hpc_11388.xml url:null doi:https://doi.org/10.14469/hpc/11388] Primary crystal structure data for Compound 33. Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium +10.14469/hpc/10386>C>11372>C>11388> [IFDReference 1508 https://doi.org/10.14469/hpc/11388>as>null url:null doi:https://doi.org/10.14469/hpc/11388] Primary crystal structure data for Compound 33. Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium 10.14469/hpc/10386>C>11372>C>11388>D>R [IFDReference 1513 https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=5>as>33.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=5 doi:null] 10.14469/hpc/10386>C>11372>C>11388>D>R [IFDReference 1514 https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=6>as>33.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=6 doi:null] 10.14469/hpc/10386>C>11372>C>11388>D>R [IFDReference 1510 https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=2>as>AB2121.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=2 doi:null] 10.14469/hpc/10386>C>11372>C>11388>D>R [IFDReference 1509 https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=1>as>AB2121.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=1 doi:null] 10.14469/hpc/10386>C>11372>C>11388>D>R [IFDReference 1511 https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=3>as>AB2121.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11388&file=3 doi:null] -10.14469/hpc/10386>C>11372>C>11388>D>ccdc.csd.cc2d6q3g> [IFDReference 1515 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6q3g>as>10.5517_ccdc.csd.cc2d6q3g.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q3g] CCDC 2210985: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11329> [IFDReference 1516 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11329>as>10.14469_hpc_11329.xml url:null doi:https://doi.org/10.14469/hpc/11329] Compound 14: (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium -10.14469/hpc/10386>C>11329>C>11570> [IFDReference 1517 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11570>as>10.14469_hpc_11570.xml url:null doi:https://doi.org/10.14469/hpc/11570] IR Data for Compound 14. +10.14469/hpc/10386>C>11372>C>11388>D>ccdc.csd.cc2d6q3g> [IFDReference 1515 https://doi.org/10.5517/ccdc.csd.cc2d6q3g>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q3g] CCDC 2210985: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11329> [IFDReference 1516 https://doi.org/10.14469/hpc/11329>as>null url:null doi:https://doi.org/10.14469/hpc/11329] Compound 14: (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium +10.14469/hpc/10386>C>11329>C>11570> [IFDReference 1517 https://doi.org/10.14469/hpc/11570>as>null url:null doi:https://doi.org/10.14469/hpc/11570] IR Data for Compound 14. 10.14469/hpc/10386>C>11329>C>11570>D>R [IFDReference 1522 https://data.hpc.imperial.ac.uk/resolve/?doi=11570&file=5>as>14.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11570&file=5 doi:null] 10.14469/hpc/10386>C>11329>C>11570>D>R [IFDReference 1521 https://data.hpc.imperial.ac.uk/resolve/?doi=11570&file=4>as>14.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11570&file=4 doi:null] 10.14469/hpc/10386>C>11329>C>11570>D>R [IFDReference 1519 https://data.hpc.imperial.ac.uk/resolve/?doi=11570&file=2>as>14.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11570&file=2 doi:null] 10.14469/hpc/10386>C>11329>C>11570>D>R [IFDReference 1518 https://data.hpc.imperial.ac.uk/resolve/?doi=11570&file=1>as>TM-VI-254_2022-07-19T18-02-27.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11570&file=1 doi:null] -10.14469/hpc/10386>C>11329>C>11568> [IFDReference 1523 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11568>as>10.14469_hpc_11568.xml url:null doi:https://doi.org/10.14469/hpc/11568] NMR Data for Compound 14. -10.14469/hpc/10386>C>11329>C>11568>C>11574> [IFDReference 1524 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11574>as>10.14469_hpc_11574.xml url:null doi:https://doi.org/10.14469/hpc/11574] NMR data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 1H, COSY +10.14469/hpc/10386>C>11329>C>11568> [IFDReference 1523 https://doi.org/10.14469/hpc/11568>as>null url:null doi:https://doi.org/10.14469/hpc/11568] NMR Data for Compound 14. +10.14469/hpc/10386>C>11329>C>11568>C>11574> [IFDReference 1524 https://doi.org/10.14469/hpc/11574>as>null url:null doi:https://doi.org/10.14469/hpc/11574] NMR data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 1H, COSY 10.14469/hpc/10386>C>11329>C>11568>C>11574>D>R [IFDReference 1527 https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=3>as>14-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=3 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11574>D>R [IFDReference 1526 https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=2>as>14-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=2 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11574>D>R [IFDReference 1528 https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=4>as>14-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=4 doi:null] @@ -1304,7 +1304,7 @@ 10.14469/hpc/10386>C>11329>C>11568>C>11574>D>R [IFDReference 1533 https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=9>as>14.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=9 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11574>D>R [IFDReference 1531 https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=7>as>14.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=7 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11574>D>R [IFDReference 1529 https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=5>as>14.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11574&file=5 doi:null] -10.14469/hpc/10386>C>11329>C>11568>C>11575> [IFDReference 1534 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11575>as>10.14469_hpc_11575.xml url:null doi:https://doi.org/10.14469/hpc/11575] NMR Data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 1H, 13C, HSQC +10.14469/hpc/10386>C>11329>C>11568>C>11575> [IFDReference 1534 https://doi.org/10.14469/hpc/11575>as>null url:null doi:https://doi.org/10.14469/hpc/11575] NMR Data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 1H, 13C, HSQC 10.14469/hpc/10386>C>11329>C>11568>C>11575>D>R [IFDReference 1537 https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=3>as>14-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=3 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11575>D>R [IFDReference 1536 https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=2>as>14-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=2 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11575>D>R [IFDReference 1538 https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=4>as>14-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=4 doi:null] @@ -1313,7 +1313,7 @@ 10.14469/hpc/10386>C>11329>C>11568>C>11575>D>R [IFDReference 1543 https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=9>as>14.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=9 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11575>D>R [IFDReference 1541 https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=7>as>14.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=7 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11575>D>R [IFDReference 1539 https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=5>as>14.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11575&file=5 doi:null] -10.14469/hpc/10386>C>11329>C>11568>C>11576> [IFDReference 1544 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11576>as>10.14469_hpc_11576.xml url:null doi:https://doi.org/10.14469/hpc/11576] NMR Data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 1H, 13C, HMBC +10.14469/hpc/10386>C>11329>C>11568>C>11576> [IFDReference 1544 https://doi.org/10.14469/hpc/11576>as>null url:null doi:https://doi.org/10.14469/hpc/11576] NMR Data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 1H, 13C, HMBC 10.14469/hpc/10386>C>11329>C>11568>C>11576>D>R [IFDReference 1547 https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=3>as>14-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=3 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11576>D>R [IFDReference 1546 https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=2>as>14-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=2 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11576>D>R [IFDReference 1548 https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=4>as>14-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=4 doi:null] @@ -1322,7 +1322,7 @@ 10.14469/hpc/10386>C>11329>C>11568>C>11576>D>R [IFDReference 1550 https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=6>as>14.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=6 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11576>D>R [IFDReference 1551 https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=7>as>14.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=7 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11576>D>R [IFDReference 1549 https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=5>as>14.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11576&file=5 doi:null] -10.14469/hpc/10386>C>11329>C>11568>C>11571> [IFDReference 1553 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11571>as>10.14469_hpc_11571.xml url:null doi:https://doi.org/10.14469/hpc/11571] NMR Data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 1H +10.14469/hpc/10386>C>11329>C>11568>C>11571> [IFDReference 1553 https://doi.org/10.14469/hpc/11571>as>null url:null doi:https://doi.org/10.14469/hpc/11571] NMR Data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 1H 10.14469/hpc/10386>C>11329>C>11568>C>11571>D>R [IFDReference 1556 https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=3>as>14-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=3 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11571>D>R [IFDReference 1555 https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=2>as>14-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=2 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11571>D>R [IFDReference 1557 https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=4>as>14-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=4 doi:null] @@ -1331,7 +1331,7 @@ 10.14469/hpc/10386>C>11329>C>11568>C>11571>D>R [IFDReference 1559 https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=6>as>14.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=6 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11571>D>R [IFDReference 1560 https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=7>as>14.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=7 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11571>D>R [IFDReference 1558 https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=5>as>14.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11571&file=5 doi:null] -10.14469/hpc/10386>C>11329>C>11568>C>11572> [IFDReference 1562 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11572>as>10.14469_hpc_11572.xml url:null doi:https://doi.org/10.14469/hpc/11572] NMR Data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 13C +10.14469/hpc/10386>C>11329>C>11568>C>11572> [IFDReference 1562 https://doi.org/10.14469/hpc/11572>as>null url:null doi:https://doi.org/10.14469/hpc/11572] NMR Data for (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium (14), 13C 10.14469/hpc/10386>C>11329>C>11568>C>11572>D>R [IFDReference 1565 https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=3>as>14-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=3 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11572>D>R [IFDReference 1564 https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=2>as>14-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=2 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11572>D>R [IFDReference 1566 https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=4>as>14-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=4 doi:null] @@ -1340,45 +1340,45 @@ 10.14469/hpc/10386>C>11329>C>11568>C>11572>D>R [IFDReference 1571 https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=9>as>14.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=9 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11572>D>R [IFDReference 1569 https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=7>as>14.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=7 doi:null] 10.14469/hpc/10386>C>11329>C>11568>C>11572>D>R [IFDReference 1567 https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=5>as>14.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11572&file=5 doi:null] -10.14469/hpc/10386>C>11329>C>11330> [IFDReference 1572 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11330>as>10.14469_hpc_11330.xml url:null doi:https://doi.org/10.14469/hpc/11330] Crystal structure data for compound 14. (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium +10.14469/hpc/10386>C>11329>C>11330> [IFDReference 1572 https://doi.org/10.14469/hpc/11330>as>null url:null doi:https://doi.org/10.14469/hpc/11330] Crystal structure data for compound 14. (4-(Ethoxycarbonyl)-1H-pyrazol-5-olate)sodium 10.14469/hpc/10386>C>11329>C>11330>D>R [IFDReference 1577 https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=5>as>14.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=5 doi:null] 10.14469/hpc/10386>C>11329>C>11330>D>R [IFDReference 1578 https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=6>as>14.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=6 doi:null] 10.14469/hpc/10386>C>11329>C>11330>D>R [IFDReference 1575 https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=3>as>AB2204.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=3 doi:null] 10.14469/hpc/10386>C>11329>C>11330>D>R [IFDReference 1573 https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=1>as>AB2204.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=1 doi:null] 10.14469/hpc/10386>C>11329>C>11330>D>R [IFDReference 1574 https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=2>as>AB2204.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11330&file=2 doi:null] -10.14469/hpc/10386>C>11329>C>11330>D>ccdc.csd.cc2d6pw6> [IFDReference 1579 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6pw6>as>10.5517_ccdc.csd.cc2d6pw6.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6pw6] CCDC 2210978: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11410> [IFDReference 1580 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11410>as>10.14469_hpc_11410.xml url:null doi:https://doi.org/10.14469/hpc/11410] Compound 70: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)ytterbium -10.14469/hpc/10386>C>11410>C>11506> [IFDReference 1581 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11506>as>10.14469_hpc_11506.xml url:null doi:https://doi.org/10.14469/hpc/11506] IR Data for Compound 70. +10.14469/hpc/10386>C>11329>C>11330>D>ccdc.csd.cc2d6pw6> [IFDReference 1579 https://doi.org/10.5517/ccdc.csd.cc2d6pw6>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6pw6] CCDC 2210978: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11410> [IFDReference 1580 https://doi.org/10.14469/hpc/11410>as>null url:null doi:https://doi.org/10.14469/hpc/11410] Compound 70: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)ytterbium +10.14469/hpc/10386>C>11410>C>11506> [IFDReference 1581 https://doi.org/10.14469/hpc/11506>as>null url:null doi:https://doi.org/10.14469/hpc/11506] IR Data for Compound 70. 10.14469/hpc/10386>C>11410>C>11506>D>R [IFDReference 1587 https://data.hpc.imperial.ac.uk/resolve/?doi=11506&file=6>as>70.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11506&file=6 doi:null] 10.14469/hpc/10386>C>11410>C>11506>D>R [IFDReference 1589 https://data.hpc.imperial.ac.uk/resolve/?doi=11506&file=8>as>70.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11506&file=8 doi:null] 10.14469/hpc/10386>C>11410>C>11506>D>R [IFDReference 1588 https://data.hpc.imperial.ac.uk/resolve/?doi=11506&file=7>as>70.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11506&file=7 doi:null] 10.14469/hpc/10386>C>11410>C>11506>D>R [IFDReference 1582 https://data.hpc.imperial.ac.uk/resolve/?doi=11506&file=1>as>TM-VI-209_2021-12-13T15-09-54.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11506&file=1 doi:null] -10.14469/hpc/10386>C>11410>C>11437> [IFDReference 1590 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11437>as>10.14469_hpc_11437.xml url:null doi:https://doi.org/10.14469/hpc/11437] Primary crystal structure data for Compound 70. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)ytterbium +10.14469/hpc/10386>C>11410>C>11437> [IFDReference 1590 https://doi.org/10.14469/hpc/11437>as>null url:null doi:https://doi.org/10.14469/hpc/11437] Primary crystal structure data for Compound 70. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)ytterbium 10.14469/hpc/10386>C>11410>C>11437>D>R [IFDReference 1595 https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=5>as>70.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=5 doi:null] 10.14469/hpc/10386>C>11410>C>11437>D>R [IFDReference 1596 https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=6>as>70.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=6 doi:null] 10.14469/hpc/10386>C>11410>C>11437>D>R [IFDReference 1592 https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=2>as>AB2205.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=2 doi:null] 10.14469/hpc/10386>C>11410>C>11437>D>R [IFDReference 1591 https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=1>as>AB2205.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=1 doi:null] 10.14469/hpc/10386>C>11410>C>11437>D>R [IFDReference 1593 https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=3>as>AB2205.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11437&file=3 doi:null] -10.14469/hpc/10386>C>11410>C>11437>D>ccdc.csd.cc2d6qx8> [IFDReference 1597 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qx8>as>10.5517_ccdc.csd.cc2d6qx8.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qx8] CCDC 2211010: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11403> [IFDReference 1598 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11403>as>10.14469_hpc_11403.xml url:null doi:https://doi.org/10.14469/hpc/11403] Compound 57: Bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)nickel -10.14469/hpc/10386>C>11403>C>11508> [IFDReference 1599 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11508>as>10.14469_hpc_11508.xml url:null doi:https://doi.org/10.14469/hpc/11508] IR data for Compound 57. +10.14469/hpc/10386>C>11410>C>11437>D>ccdc.csd.cc2d6qx8> [IFDReference 1597 https://doi.org/10.5517/ccdc.csd.cc2d6qx8>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qx8] CCDC 2211010: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11403> [IFDReference 1598 https://doi.org/10.14469/hpc/11403>as>null url:null doi:https://doi.org/10.14469/hpc/11403] Compound 57: Bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)nickel +10.14469/hpc/10386>C>11403>C>11508> [IFDReference 1599 https://doi.org/10.14469/hpc/11508>as>null url:null doi:https://doi.org/10.14469/hpc/11508] IR data for Compound 57. 10.14469/hpc/10386>C>11403>C>11508>D>R [IFDReference 1604 https://data.hpc.imperial.ac.uk/resolve/?doi=11508&file=5>as>57.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11508&file=5 doi:null] 10.14469/hpc/10386>C>11403>C>11508>D>R [IFDReference 1606 https://data.hpc.imperial.ac.uk/resolve/?doi=11508&file=7>as>57.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11508&file=7 doi:null] 10.14469/hpc/10386>C>11403>C>11508>D>R [IFDReference 1605 https://data.hpc.imperial.ac.uk/resolve/?doi=11508&file=6>as>57.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11508&file=6 doi:null] 10.14469/hpc/10386>C>11403>C>11508>D>R [IFDReference 1600 https://data.hpc.imperial.ac.uk/resolve/?doi=11508&file=1>as>TM-VI-202_2021-12-05T19-12-49.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11508&file=1 doi:null] -10.14469/hpc/10386>C>11403>C>11425> [IFDReference 1607 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11425>as>10.14469_hpc_11425.xml url:null doi:https://doi.org/10.14469/hpc/11425] Primary crystal structure data for Compound 57. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)nickel +10.14469/hpc/10386>C>11403>C>11425> [IFDReference 1607 https://doi.org/10.14469/hpc/11425>as>null url:null doi:https://doi.org/10.14469/hpc/11425] Primary crystal structure data for Compound 57. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)nickel 10.14469/hpc/10386>C>11403>C>11425>D>R [IFDReference 1609 https://data.hpc.imperial.ac.uk/resolve/?doi=11425&file=2>as>AB2212.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11425&file=2 doi:null] 10.14469/hpc/10386>C>11403>C>11425>D>R [IFDReference 1608 https://data.hpc.imperial.ac.uk/resolve/?doi=11425&file=1>as>AB2212.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11425&file=1 doi:null] 10.14469/hpc/10386>C>11403>C>11425>D>R [IFDReference 1610 https://data.hpc.imperial.ac.uk/resolve/?doi=11425&file=3>as>AB2212.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11425&file=3 doi:null] -10.14469/hpc/10386>C>11403>C>11425>D>ccdc.csd.cc2d6qp1> [IFDReference 1611 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qp1>as>10.5517_ccdc.csd.cc2d6qp1.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qp1] CCDC 2211003: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11746> [IFDReference 1612 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11746>as>10.14469_hpc_11746.xml url:null doi:https://doi.org/10.14469/hpc/11746] Compound 71: Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)ytterbium +10.14469/hpc/10386>C>11403>C>11425>D>ccdc.csd.cc2d6qp1> [IFDReference 1611 https://doi.org/10.5517/ccdc.csd.cc2d6qp1>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qp1] CCDC 2211003: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11746> [IFDReference 1612 https://doi.org/10.14469/hpc/11746>as>null url:null doi:https://doi.org/10.14469/hpc/11746] Compound 71: Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)ytterbium 10.14469/hpc/10386>C>11746>C>R [IFDReference 1615 https://data.hpc.imperial.ac.uk/resolve/?doi=11746&file=3>as>71.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11746&file=3 doi:null] 10.14469/hpc/10386>C>11746>C>R [IFDReference 1616 https://data.hpc.imperial.ac.uk/resolve/?doi=11746&file=4>as>71.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11746&file=4 doi:null] 10.14469/hpc/10386>C>11746>C>R [IFDReference 1614 https://data.hpc.imperial.ac.uk/resolve/?doi=11746&file=2>as>71.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11746&file=2 doi:null] -10.14469/hpc/10386>C>11407> [IFDReference 1617 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11407>as>10.14469_hpc_11407.xml url:null doi:https://doi.org/10.14469/hpc/11407] Compound 62: tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum -10.14469/hpc/10386>C>11407>C>11549> [IFDReference 1618 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11549>as>10.14469_hpc_11549.xml url:null doi:https://doi.org/10.14469/hpc/11549] NMR Data for Compound 62. +10.14469/hpc/10386>C>11407> [IFDReference 1617 https://doi.org/10.14469/hpc/11407>as>null url:null doi:https://doi.org/10.14469/hpc/11407] Compound 62: tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum +10.14469/hpc/10386>C>11407>C>11549> [IFDReference 1618 https://doi.org/10.14469/hpc/11549>as>null url:null doi:https://doi.org/10.14469/hpc/11549] NMR Data for Compound 62. 10.14469/hpc/10386>C>11407>C>11549>C>R [IFDReference 1619 https://data.hpc.imperial.ac.uk/resolve/?doi=11549&file=1>as>62.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11549&file=1 doi:null] -10.14469/hpc/10386>C>11407>C>11549>C>11553> [IFDReference 1620 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11553>as>10.14469_hpc_11553.xml url:null doi:https://doi.org/10.14469/hpc/11553] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 1H +10.14469/hpc/10386>C>11407>C>11549>C>11553> [IFDReference 1620 https://doi.org/10.14469/hpc/11553>as>null url:null doi:https://doi.org/10.14469/hpc/11553] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 1H 10.14469/hpc/10386>C>11407>C>11549>C>11553>D>R [IFDReference 1623 https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=3>as>62-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=3 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11553>D>R [IFDReference 1621 https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=1>as>62-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=1 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11553>D>R [IFDReference 1624 https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=4>as>62-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=4 doi:null] @@ -1386,7 +1386,7 @@ 10.14469/hpc/10386>C>11407>C>11549>C>11553>D>R [IFDReference 1626 https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=6>as>62.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=6 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11553>D>R [IFDReference 1627 https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=7>as>62.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=7 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11553>D>R [IFDReference 1625 https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=5>as>62.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11553&file=5 doi:null] -10.14469/hpc/10386>C>11407>C>11549>C>11597> [IFDReference 1628 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11597>as>10.14469_hpc_11597.xml url:null doi:https://doi.org/10.14469/hpc/11597] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 1H, 13C, HMBC +10.14469/hpc/10386>C>11407>C>11549>C>11597> [IFDReference 1628 https://doi.org/10.14469/hpc/11597>as>null url:null doi:https://doi.org/10.14469/hpc/11597] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 1H, 13C, HMBC 10.14469/hpc/10386>C>11407>C>11549>C>11597>D>R [IFDReference 1631 https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=3>as>62-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=3 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11597>D>R [IFDReference 1637 https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=9>as>62-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=9 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11597>D>R [IFDReference 1632 https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=4>as>62-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=4 doi:null] @@ -1396,7 +1396,7 @@ 10.14469/hpc/10386>C>11407>C>11549>C>11597>D>R [IFDReference 1633 https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=5>as>62.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=5 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11597>D>R [IFDReference 1630 https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=2>as>La-Ph complex hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=2 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11597>D>R [IFDReference 1629 https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=1>as>La-Ph complex hmbc.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11597&file=1 doi:null] -10.14469/hpc/10386>C>11407>C>11549>C>11596> [IFDReference 1638 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11596>as>10.14469_hpc_11596.xml url:null doi:https://doi.org/10.14469/hpc/11596] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 1H, 13C, HMQC +10.14469/hpc/10386>C>11407>C>11549>C>11596> [IFDReference 1638 https://doi.org/10.14469/hpc/11596>as>null url:null doi:https://doi.org/10.14469/hpc/11596] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 1H, 13C, HMQC 10.14469/hpc/10386>C>11407>C>11549>C>11596>D>R [IFDReference 1641 https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=3>as>62-hmqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=3 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11596>D>R [IFDReference 1640 https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=2>as>62-hmqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=2 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11596>D>R [IFDReference 1642 https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=4>as>62-hmqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=4 doi:null] @@ -1404,7 +1404,7 @@ 10.14469/hpc/10386>C>11407>C>11549>C>11596>D>R [IFDReference 1644 https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=6>as>62.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=6 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11596>D>R [IFDReference 1645 https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=7>as>62.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=7 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11596>D>R [IFDReference 1643 https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=5>as>62.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11596&file=5 doi:null] -10.14469/hpc/10386>C>11407>C>11549>C>11552> [IFDReference 1646 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11552>as>10.14469_hpc_11552.xml url:null doi:https://doi.org/10.14469/hpc/11552] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 13C +10.14469/hpc/10386>C>11407>C>11549>C>11552> [IFDReference 1646 https://doi.org/10.14469/hpc/11552>as>null url:null doi:https://doi.org/10.14469/hpc/11552] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 13C 10.14469/hpc/10386>C>11407>C>11549>C>11552>D>R [IFDReference 1649 https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=3>as>62-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=3 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11552>D>R [IFDReference 1648 https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=2>as>62-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=2 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11552>D>R [IFDReference 1650 https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=4>as>62-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=4 doi:null] @@ -1412,7 +1412,7 @@ 10.14469/hpc/10386>C>11407>C>11549>C>11552>D>R [IFDReference 1652 https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=6>as>62.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=6 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11552>D>R [IFDReference 1653 https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=7>as>62.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=7 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11552>D>R [IFDReference 1651 https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=5>as>62.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11552&file=5 doi:null] -10.14469/hpc/10386>C>11407>C>11549>C>11595> [IFDReference 1654 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11595>as>10.14469_hpc_11595.xml url:null doi:https://doi.org/10.14469/hpc/11595] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 1H, COSY +10.14469/hpc/10386>C>11407>C>11549>C>11595> [IFDReference 1654 https://doi.org/10.14469/hpc/11595>as>null url:null doi:https://doi.org/10.14469/hpc/11595] NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 1H, COSY 10.14469/hpc/10386>C>11407>C>11549>C>11595>D>R [IFDReference 1657 https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=3>as>62-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=3 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11595>D>R [IFDReference 1656 https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=2>as>62-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=2 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11595>D>R [IFDReference 1658 https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=4>as>62-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=4 doi:null] @@ -1420,11 +1420,11 @@ 10.14469/hpc/10386>C>11407>C>11549>C>11595>D>R [IFDReference 1660 https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=6>as>62.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=6 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11595>D>R [IFDReference 1662 https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=8>as>62.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=8 doi:null] 10.14469/hpc/10386>C>11407>C>11549>C>11595>D>R [IFDReference 1659 https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=5>as>62.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11595&file=5 doi:null] -10.14469/hpc/10386>C>11407>C>11548> [IFDReference 1663 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11548>as>10.14469_hpc_11548.xml url:null doi:https://doi.org/10.14469/hpc/11548] IR data for Compound 62. +10.14469/hpc/10386>C>11407>C>11548> [IFDReference 1663 https://doi.org/10.14469/hpc/11548>as>null url:null doi:https://doi.org/10.14469/hpc/11548] IR data for Compound 62. 10.14469/hpc/10386>C>11407>C>11548>D>R [IFDReference 1665 https://data.hpc.imperial.ac.uk/resolve/?doi=11548&file=2>as>62.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11548&file=2 doi:null] 10.14469/hpc/10386>C>11407>C>11548>D>R [IFDReference 1666 https://data.hpc.imperial.ac.uk/resolve/?doi=11548&file=3>as>62.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11548&file=3 doi:null] 10.14469/hpc/10386>C>11407>C>11548>D>R [IFDReference 1664 https://data.hpc.imperial.ac.uk/resolve/?doi=11548&file=1>as>TM-VI-199_2021-12-05T18-36-17.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11548&file=1 doi:null] -10.14469/hpc/10386>C>11407>C>11430> [IFDReference 1667 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11430>as>10.14469_hpc_11430.xml url:null doi:https://doi.org/10.14469/hpc/11430] Primary crystal structure data for Compound 62. Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum +10.14469/hpc/10386>C>11407>C>11430> [IFDReference 1667 https://doi.org/10.14469/hpc/11430>as>null url:null doi:https://doi.org/10.14469/hpc/11430] Primary crystal structure data for Compound 62. Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum 10.14469/hpc/10386>C>11407>C>11430>D>R [IFDReference 1674 https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=7>as>62.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=7 doi:null] 10.14469/hpc/10386>C>11407>C>11430>D>R [IFDReference 1673 https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=6>as>62.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=6 doi:null] 10.14469/hpc/10386>C>11407>C>11430>D>R [IFDReference 1669 https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=2>as>AB2151.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=2 doi:null] @@ -1432,10 +1432,10 @@ 10.14469/hpc/10386>C>11407>C>11430>D>R [IFDReference 1668 https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=1>as>AB2151.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=1 doi:null] 10.14469/hpc/10386>C>11407>C>11430>D>R [IFDReference 1671 https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=4>as>AB2151.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=4 doi:null] 10.14469/hpc/10386>C>11407>C>11430>D>R [IFDReference 1672 https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=5>as>AB2151.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11430&file=5 doi:null] -10.14469/hpc/10386>C>11407>C>11430>D>ccdc.csd.cc2d6qt5> [IFDReference 1675 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qt5>as>10.5517_ccdc.csd.cc2d6qt5.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qt5] CCDC 2211007: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11358> [IFDReference 1676 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11358>as>10.14469_hpc_11358.xml url:null doi:https://doi.org/10.14469/hpc/11358] Compound 24: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium -10.14469/hpc/10386>C>11358>C>11601> [IFDReference 1677 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11601>as>10.14469_hpc_11601.xml url:null doi:https://doi.org/10.14469/hpc/11601] NMR Data for Compound 24. -10.14469/hpc/10386>C>11358>C>11601>C>11603> [IFDReference 1678 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11603>as>10.14469_hpc_11603.xml url:null doi:https://doi.org/10.14469/hpc/11603] NMR Data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 1H +10.14469/hpc/10386>C>11407>C>11430>D>ccdc.csd.cc2d6qt5> [IFDReference 1675 https://doi.org/10.5517/ccdc.csd.cc2d6qt5>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qt5] CCDC 2211007: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11358> [IFDReference 1676 https://doi.org/10.14469/hpc/11358>as>null url:null doi:https://doi.org/10.14469/hpc/11358] Compound 24: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium +10.14469/hpc/10386>C>11358>C>11601> [IFDReference 1677 https://doi.org/10.14469/hpc/11601>as>null url:null doi:https://doi.org/10.14469/hpc/11601] NMR Data for Compound 24. +10.14469/hpc/10386>C>11358>C>11601>C>11603> [IFDReference 1678 https://doi.org/10.14469/hpc/11603>as>null url:null doi:https://doi.org/10.14469/hpc/11603] NMR Data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 1H 10.14469/hpc/10386>C>11358>C>11601>C>11603>D>R [IFDReference 1681 https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=3>as>24-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=3 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11603>D>R [IFDReference 1680 https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=2>as>24-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=2 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11603>D>R [IFDReference 1682 https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=4>as>24-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=4 doi:null] @@ -1443,7 +1443,7 @@ 10.14469/hpc/10386>C>11358>C>11601>C>11603>D>R [IFDReference 1690 https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=12>as>24.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=12 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11603>D>R [IFDReference 1691 https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=13>as>24.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=13 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11603>D>R [IFDReference 1689 https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=11>as>24.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11603&file=11 doi:null] -10.14469/hpc/10386>C>11358>C>11601>C>11604> [IFDReference 1692 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11604>as>10.14469_hpc_11604.xml url:null doi:https://doi.org/10.14469/hpc/11604] NMR data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 13C +10.14469/hpc/10386>C>11358>C>11601>C>11604> [IFDReference 1692 https://doi.org/10.14469/hpc/11604>as>null url:null doi:https://doi.org/10.14469/hpc/11604] NMR data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 13C 10.14469/hpc/10386>C>11358>C>11601>C>11604>D>R [IFDReference 1695 https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=3>as>24-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=3 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11604>D>R [IFDReference 1694 https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=2>as>24-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=2 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11604>D>R [IFDReference 1696 https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=4>as>24-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=4 doi:null] @@ -1451,7 +1451,7 @@ 10.14469/hpc/10386>C>11358>C>11601>C>11604>D>R [IFDReference 1703 https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=11>as>24.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=11 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11604>D>R [IFDReference 1705 https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=13>as>24.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=13 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11604>D>R [IFDReference 1704 https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=12>as>24.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11604&file=12 doi:null] -10.14469/hpc/10386>C>11358>C>11601>C>11605> [IFDReference 1706 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11605>as>10.14469_hpc_11605.xml url:null doi:https://doi.org/10.14469/hpc/11605] NMR data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 1H, COSY +10.14469/hpc/10386>C>11358>C>11601>C>11605> [IFDReference 1706 https://doi.org/10.14469/hpc/11605>as>null url:null doi:https://doi.org/10.14469/hpc/11605] NMR data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 1H, COSY 10.14469/hpc/10386>C>11358>C>11601>C>11605>D>R [IFDReference 1709 https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=3>as>24-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=3 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11605>D>R [IFDReference 1708 https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=2>as>24-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=2 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11605>D>R [IFDReference 1710 https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=4>as>24-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=4 doi:null] @@ -1459,7 +1459,7 @@ 10.14469/hpc/10386>C>11358>C>11601>C>11605>D>R [IFDReference 1717 https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=11>as>24.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=11 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11605>D>R [IFDReference 1719 https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=13>as>24.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=13 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11605>D>R [IFDReference 1718 https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=12>as>24.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11605&file=12 doi:null] -10.14469/hpc/10386>C>11358>C>11601>C>11606> [IFDReference 1720 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11606>as>10.14469_hpc_11606.xml url:null doi:https://doi.org/10.14469/hpc/11606] NMR Data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 1H, 13C, HSQC +10.14469/hpc/10386>C>11358>C>11601>C>11606> [IFDReference 1720 https://doi.org/10.14469/hpc/11606>as>null url:null doi:https://doi.org/10.14469/hpc/11606] NMR Data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 1H, 13C, HSQC 10.14469/hpc/10386>C>11358>C>11601>C>11606>D>R [IFDReference 1723 https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=3>as>24-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=3 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11606>D>R [IFDReference 1722 https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=2>as>24-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=2 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11606>D>R [IFDReference 1724 https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=4>as>24-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=4 doi:null] @@ -1467,7 +1467,7 @@ 10.14469/hpc/10386>C>11358>C>11601>C>11606>D>R [IFDReference 1731 https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=11>as>24.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=11 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11606>D>R [IFDReference 1733 https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=13>as>24.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=13 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11606>D>R [IFDReference 1732 https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=12>as>24.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11606&file=12 doi:null] -10.14469/hpc/10386>C>11358>C>11601>C>11607> [IFDReference 1734 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11607>as>10.14469_hpc_11607.xml url:null doi:https://doi.org/10.14469/hpc/11607] NMR data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 1H, 13C, HMBC +10.14469/hpc/10386>C>11358>C>11601>C>11607> [IFDReference 1734 https://doi.org/10.14469/hpc/11607>as>null url:null doi:https://doi.org/10.14469/hpc/11607] NMR data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium (24), 1H, 13C, HMBC 10.14469/hpc/10386>C>11358>C>11601>C>11607>D>R [IFDReference 1737 https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=3>as>24-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=3 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11607>D>R [IFDReference 1736 https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=2>as>24-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=2 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11607>D>R [IFDReference 1738 https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=4>as>24-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=4 doi:null] @@ -1475,12 +1475,12 @@ 10.14469/hpc/10386>C>11358>C>11601>C>11607>D>R [IFDReference 1745 https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=11>as>24.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=11 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11607>D>R [IFDReference 1747 https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=13>as>24.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=13 doi:null] 10.14469/hpc/10386>C>11358>C>11601>C>11607>D>R [IFDReference 1746 https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=12>as>24.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11607&file=12 doi:null] -10.14469/hpc/10386>C>11358>C>11602> [IFDReference 1748 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11602>as>10.14469_hpc_11602.xml url:null doi:https://doi.org/10.14469/hpc/11602] IR Data for Compound 24. +10.14469/hpc/10386>C>11358>C>11602> [IFDReference 1748 https://doi.org/10.14469/hpc/11602>as>null url:null doi:https://doi.org/10.14469/hpc/11602] IR Data for Compound 24. 10.14469/hpc/10386>C>11358>C>11602>D>R [IFDReference 1757 https://data.hpc.imperial.ac.uk/resolve/?doi=11602&file=9>as>24.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11602&file=9 doi:null] 10.14469/hpc/10386>C>11358>C>11602>D>R [IFDReference 1758 https://data.hpc.imperial.ac.uk/resolve/?doi=11602&file=10>as>24.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11602&file=10 doi:null] 10.14469/hpc/10386>C>11358>C>11602>D>R [IFDReference 1756 https://data.hpc.imperial.ac.uk/resolve/?doi=11602&file=8>as>24.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11602&file=8 doi:null] 10.14469/hpc/10386>C>11358>C>11602>D>R [IFDReference 1749 https://data.hpc.imperial.ac.uk/resolve/?doi=11602&file=1>as>TM-VI-136_2021-10-26T14-17-31.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11602&file=1 doi:null] -10.14469/hpc/10386>C>11358>C>11359> [IFDReference 1759 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11359>as>10.14469_hpc_11359.xml url:null doi:https://doi.org/10.14469/hpc/11359] Crystal data for Compound 24. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium +10.14469/hpc/10386>C>11358>C>11359> [IFDReference 1759 https://doi.org/10.14469/hpc/11359>as>null url:null doi:https://doi.org/10.14469/hpc/11359] Crystal data for Compound 24. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)scandium 10.14469/hpc/10386>C>11358>C>11359>D>R [IFDReference 1768 https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=9>as>24-v3.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=9 doi:null] 10.14469/hpc/10386>C>11358>C>11359>D>R [IFDReference 1764 https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=5>as>24.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=5 doi:null] 10.14469/hpc/10386>C>11358>C>11359>D>R [IFDReference 1767 https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=8>as>24.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=8 doi:null] @@ -1488,30 +1488,30 @@ 10.14469/hpc/10386>C>11358>C>11359>D>R [IFDReference 1761 https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=2>as>AB2123.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=2 doi:null] 10.14469/hpc/10386>C>11358>C>11359>D>R [IFDReference 1760 https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=1>as>AB2123.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=1 doi:null] 10.14469/hpc/10386>C>11358>C>11359>D>R [IFDReference 1762 https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=3>as>AB2123.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11359&file=3 doi:null] -10.14469/hpc/10386>C>11358>C>11359>D>ccdc.csd.cc2d6rds> [IFDReference 1769 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6rds>as>10.5517_ccdc.csd.cc2d6rds.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6rds] CCDC 2211025: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11396> [IFDReference 1770 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11396>as>10.14469_hpc_11396.xml url:null doi:https://doi.org/10.14469/hpc/11396] Compound 42: bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)manganese -10.14469/hpc/10386>C>11396>C>11510> [IFDReference 1771 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11510>as>10.14469_hpc_11510.xml url:null doi:https://doi.org/10.14469/hpc/11510] IR Data for Compound 42. +10.14469/hpc/10386>C>11358>C>11359>D>ccdc.csd.cc2d6rds> [IFDReference 1769 https://doi.org/10.5517/ccdc.csd.cc2d6rds>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6rds] CCDC 2211025: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11396> [IFDReference 1770 https://doi.org/10.14469/hpc/11396>as>null url:null doi:https://doi.org/10.14469/hpc/11396] Compound 42: bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)manganese +10.14469/hpc/10386>C>11396>C>11510> [IFDReference 1771 https://doi.org/10.14469/hpc/11510>as>null url:null doi:https://doi.org/10.14469/hpc/11510] IR Data for Compound 42. 10.14469/hpc/10386>C>11396>C>11510>D>R [IFDReference 1776 https://data.hpc.imperial.ac.uk/resolve/?doi=11510&file=5>as>42.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11510&file=5 doi:null] 10.14469/hpc/10386>C>11396>C>11510>D>R [IFDReference 1778 https://data.hpc.imperial.ac.uk/resolve/?doi=11510&file=7>as>42.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11510&file=7 doi:null] 10.14469/hpc/10386>C>11396>C>11510>D>R [IFDReference 1777 https://data.hpc.imperial.ac.uk/resolve/?doi=11510&file=6>as>42.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11510&file=6 doi:null] 10.14469/hpc/10386>C>11396>C>11510>D>R [IFDReference 1773 https://data.hpc.imperial.ac.uk/resolve/?doi=11510&file=2>as>TM-VI-228_2022-01-21T15-46-06.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11510&file=2 doi:null] -10.14469/hpc/10386>C>11396>C>11417> [IFDReference 1779 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11417>as>10.14469_hpc_11417.xml url:null doi:https://doi.org/10.14469/hpc/11417] Primary crystal structure data for Compound 42. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)manganese (42) -10.14469/hpc/10386>C>11408> [IFDReference 1788 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11408>as>10.14469_hpc_11408.xml url:null doi:https://doi.org/10.14469/hpc/11408] Compound 65: Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)dysprosium -10.14469/hpc/10386>C>11408>C>11495> [IFDReference 1789 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11495>as>10.14469_hpc_11495.xml url:null doi:https://doi.org/10.14469/hpc/11495] IR Data for Compound 65. +10.14469/hpc/10386>C>11396>C>11417> [IFDReference 1779 https://doi.org/10.14469/hpc/11417>as>null url:null doi:https://doi.org/10.14469/hpc/11417] Primary crystal structure data for Compound 42. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)manganese (42) +10.14469/hpc/10386>C>11408> [IFDReference 1788 https://doi.org/10.14469/hpc/11408>as>null url:null doi:https://doi.org/10.14469/hpc/11408] Compound 65: Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)dysprosium +10.14469/hpc/10386>C>11408>C>11495> [IFDReference 1789 https://doi.org/10.14469/hpc/11495>as>null url:null doi:https://doi.org/10.14469/hpc/11495] IR Data for Compound 65. 10.14469/hpc/10386>C>11408>C>11495>D>R [IFDReference 1795 https://data.hpc.imperial.ac.uk/resolve/?doi=11495&file=6>as>65.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11495&file=6 doi:null] 10.14469/hpc/10386>C>11408>C>11495>D>R [IFDReference 1793 https://data.hpc.imperial.ac.uk/resolve/?doi=11495&file=4>as>65.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11495&file=4 doi:null] 10.14469/hpc/10386>C>11408>C>11495>D>R [IFDReference 1796 https://data.hpc.imperial.ac.uk/resolve/?doi=11495&file=7>as>65.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11495&file=7 doi:null] 10.14469/hpc/10386>C>11408>C>11495>D>R [IFDReference 1790 https://data.hpc.imperial.ac.uk/resolve/?doi=11495&file=1>as>TM-VI-223_2022-01-21T15-36-49.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11495&file=1 doi:null] -10.14469/hpc/10386>C>11408>C>11435> [IFDReference 1797 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11435>as>10.14469_hpc_11435.xml url:null doi:https://doi.org/10.14469/hpc/11435] Primary crystal structure data for Compound 65. Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)dysprosium +10.14469/hpc/10386>C>11408>C>11435> [IFDReference 1797 https://doi.org/10.14469/hpc/11435>as>null url:null doi:https://doi.org/10.14469/hpc/11435] Primary crystal structure data for Compound 65. Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)dysprosium 10.14469/hpc/10386>C>11408>C>11435>D>R [IFDReference 1802 https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=5>as>65.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=5 doi:null] 10.14469/hpc/10386>C>11408>C>11435>D>R [IFDReference 1803 https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=6>as>65.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=6 doi:null] 10.14469/hpc/10386>C>11408>C>11435>D>R [IFDReference 1799 https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=2>as>AB2222.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=2 doi:null] 10.14469/hpc/10386>C>11408>C>11435>D>R [IFDReference 1798 https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=1>as>AB2222.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=1 doi:null] 10.14469/hpc/10386>C>11408>C>11435>D>R [IFDReference 1800 https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=3>as>AB2222.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11435&file=3 doi:null] -10.14469/hpc/10386>C>11408>C>11435>D>ccdc.csd.cc2d6qv6> [IFDReference 1804 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qv6>as>10.5517_ccdc.csd.cc2d6qv6.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qv6] CCDC 2211008: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11331> [IFDReference 1805 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11331>as>10.14469_hpc_11331.xml url:null doi:https://doi.org/10.14469/hpc/11331] Compound 15: bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium -10.14469/hpc/10386>C>11331>C>11512> [IFDReference 1806 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11512>as>10.14469_hpc_11512.xml url:null doi:https://doi.org/10.14469/hpc/11512] NMR Data for Compound 15. -10.14469/hpc/10386>C>11331>C>11512>C>11514> [IFDReference 1807 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11514>as>10.14469_hpc_11514.xml url:null doi:https://doi.org/10.14469/hpc/11514] NMR data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (15), 13C +10.14469/hpc/10386>C>11408>C>11435>D>ccdc.csd.cc2d6qv6> [IFDReference 1804 https://doi.org/10.5517/ccdc.csd.cc2d6qv6>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qv6] CCDC 2211008: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11331> [IFDReference 1805 https://doi.org/10.14469/hpc/11331>as>null url:null doi:https://doi.org/10.14469/hpc/11331] Compound 15: bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11331>C>11512> [IFDReference 1806 https://doi.org/10.14469/hpc/11512>as>null url:null doi:https://doi.org/10.14469/hpc/11512] NMR Data for Compound 15. +10.14469/hpc/10386>C>11331>C>11512>C>11514> [IFDReference 1807 https://doi.org/10.14469/hpc/11514>as>null url:null doi:https://doi.org/10.14469/hpc/11514] NMR data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (15), 13C 10.14469/hpc/10386>C>11331>C>11512>C>11514>D>R [IFDReference 1809 https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=2>as>15b-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=2 doi:null] 10.14469/hpc/10386>C>11331>C>11512>C>11514>D>R [IFDReference 1808 https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=1>as>15b-13C.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=1 doi:null] 10.14469/hpc/10386>C>11331>C>11512>C>11514>D>R [IFDReference 1812 https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=5>as>15b.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=5 doi:null] @@ -1519,7 +1519,7 @@ 10.14469/hpc/10386>C>11331>C>11512>C>11514>D>R [IFDReference 1814 https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=7>as>15b.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=7 doi:null] 10.14469/hpc/10386>C>11331>C>11512>C>11514>D>R [IFDReference 1811 https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=4>as>15b.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=4 doi:null] 10.14469/hpc/10386>C>11331>C>11512>C>11514>D>R [IFDReference 1813 https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=6>as>15b.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11514&file=6 doi:null] -10.14469/hpc/10386>C>11331>C>11512>C>11513> [IFDReference 1815 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11513>as>10.14469_hpc_11513.xml url:null doi:https://doi.org/10.14469/hpc/11513] NMR data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (15), 1H +10.14469/hpc/10386>C>11331>C>11512>C>11513> [IFDReference 1815 https://doi.org/10.14469/hpc/11513>as>null url:null doi:https://doi.org/10.14469/hpc/11513] NMR data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (15), 1H 10.14469/hpc/10386>C>11331>C>11512>C>11513>D>R [IFDReference 1819 https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=4>as>15b-1H-a.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=4 doi:null] 10.14469/hpc/10386>C>11331>C>11512>C>11513>D>R [IFDReference 1820 https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=5>as>15b-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=5 doi:null] 10.14469/hpc/10386>C>11331>C>11512>C>11513>D>R [IFDReference 1816 https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=1>as>15b-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=1 doi:null] @@ -1528,13 +1528,13 @@ 10.14469/hpc/10386>C>11331>C>11512>C>11513>D>R [IFDReference 1821 https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=6>as>15b.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=6 doi:null] 10.14469/hpc/10386>C>11331>C>11512>C>11513>D>R [IFDReference 1823 https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=8>as>15b.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=8 doi:null] 10.14469/hpc/10386>C>11331>C>11512>C>11513>D>R [IFDReference 1822 https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=7>as>15b.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11513&file=7 doi:null] -10.14469/hpc/10386>C>11331>C>11647> [IFDReference 1824 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11647>as>10.14469_hpc_11647.xml url:null doi:https://doi.org/10.14469/hpc/11647] IR Data for Compound 15. +10.14469/hpc/10386>C>11331>C>11647> [IFDReference 1824 https://doi.org/10.14469/hpc/11647>as>null url:null doi:https://doi.org/10.14469/hpc/11647] IR Data for Compound 15. 10.14469/hpc/10386>C>11331>C>11647>D>R [IFDReference 1827 https://data.hpc.imperial.ac.uk/resolve/?doi=11647&file=3>as>15b.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11647&file=3 doi:null] 10.14469/hpc/10386>C>11331>C>11647>D>R [IFDReference 1828 https://data.hpc.imperial.ac.uk/resolve/?doi=11647&file=4>as>15b.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11647&file=4 doi:null] 10.14469/hpc/10386>C>11331>C>11647>D>R [IFDReference 1826 https://data.hpc.imperial.ac.uk/resolve/?doi=11647&file=2>as>15b.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11647&file=2 doi:null] 10.14469/hpc/10386>C>11331>C>11647>D>R [IFDReference 1825 https://data.hpc.imperial.ac.uk/resolve/?doi=11647&file=1>as>TM-VI-112_2021-10-12T12-15-42.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11647&file=1 doi:null] -10.14469/hpc/10386>C>11331>C>11333> [IFDReference 1829 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11333>as>10.14469_hpc_11333.xml url:null doi:https://doi.org/10.14469/hpc/11333] Primary Crystal data for Compound 15. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium -10.14469/hpc/10386>C>11331>C>11333>>11334> [IFDReference 1830 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11334>as>10.14469_hpc_11334.xml url:null doi:https://doi.org/10.14469/hpc/11334] Crystal structure data for Compound 15b. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11331>C>11333> [IFDReference 1829 https://doi.org/10.14469/hpc/11333>as>null url:null doi:https://doi.org/10.14469/hpc/11333] Primary Crystal data for Compound 15. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11331>C>11333>>11334> [IFDReference 1830 https://doi.org/10.14469/hpc/11334>as>null url:null doi:https://doi.org/10.14469/hpc/11334] Crystal structure data for Compound 15b. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium 10.14469/hpc/10386>C>11331>C>11333>>11334>D>R [IFDReference 1839 https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=9>as>15.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=9 doi:null] 10.14469/hpc/10386>C>11331>C>11333>>11334>D>R [IFDReference 1838 https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=8>as>15b.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=8 doi:null] 10.14469/hpc/10386>C>11331>C>11333>>11334>D>R [IFDReference 1832 https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=2>as>AB2111.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=2 doi:null] @@ -1544,18 +1544,18 @@ 10.14469/hpc/10386>C>11331>C>11333>>11334>D>R [IFDReference 1835 https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=5>as>AB2111.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=5 doi:null] 10.14469/hpc/10386>C>11331>C>11333>>11334>D>R [IFDReference 1836 https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=6>as>AB2111.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=6 doi:null] 10.14469/hpc/10386>C>11331>C>11333>>11334>D>R [IFDReference 1837 https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=7>as>AB2111.zip.003 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11334&file=7 doi:null] -10.14469/hpc/10386>C>11331>C>11333>>11334>D>ccdc.csd.cc2d6py8> [IFDReference 1840 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6py8>as>10.5517_ccdc.csd.cc2d6py8.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6py8] CCDC 2210980: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11331>C>11333>>11332> [IFDReference 1841 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11332>as>10.14469_hpc_11332.xml url:null doi:https://doi.org/10.14469/hpc/11332] Crystal structure data for Compound 15. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium +10.14469/hpc/10386>C>11331>C>11333>>11334>D>ccdc.csd.cc2d6py8> [IFDReference 1840 https://doi.org/10.5517/ccdc.csd.cc2d6py8>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6py8] CCDC 2210980: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11331>C>11333>>11332> [IFDReference 1841 https://doi.org/10.14469/hpc/11332>as>null url:null doi:https://doi.org/10.14469/hpc/11332] Crystal structure data for Compound 15. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium 10.14469/hpc/10386>C>11331>C>11333>>11332>D>R [IFDReference 1846 https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=5>as>15.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=5 doi:null] 10.14469/hpc/10386>C>11331>C>11333>>11332>D>R [IFDReference 1845 https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=4>as>15.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=4 doi:null] 10.14469/hpc/10386>C>11331>C>11333>>11332>D>R [IFDReference 1843 https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=2>as>AB2118.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=2 doi:null] 10.14469/hpc/10386>C>11331>C>11333>>11332>D>R [IFDReference 1842 https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=1>as>AB2118.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=1 doi:null] 10.14469/hpc/10386>C>11331>C>11333>>11332>D>R [IFDReference 1844 https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=3>as>AB2118.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11332&file=3 doi:null] -10.14469/hpc/10386>C>11331>C>11333>>11332>D>ccdc.csd.cc2d6px7> [IFDReference 1847 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6px7>as>10.5517_ccdc.csd.cc2d6px7.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6px7] CCDC 2210979: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11331>C>11333>>ccdc.csd.cc2d6px7> [IFDReference 1848 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6px7>as>10.5517_ccdc.csd.cc2d6px7.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6px7] CCDC 2210979: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11298> [IFDReference 1849 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11298>as>10.14469_hpc_11298.xml url:null doi:https://doi.org/10.14469/hpc/11298] Compound 11: (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium -10.14469/hpc/10386>C>11298>C>11562> [IFDReference 1850 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11562>as>10.14469_hpc_11562.xml url:null doi:https://doi.org/10.14469/hpc/11562] NMR Data for Compound 11. -10.14469/hpc/10386>C>11298>C>11562>C>11565> [IFDReference 1851 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11565>as>10.14469_hpc_11565.xml url:null doi:https://doi.org/10.14469/hpc/11565] NMR Data for (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 1H, 13C, HMBC +10.14469/hpc/10386>C>11331>C>11333>>11332>D>ccdc.csd.cc2d6px7> [IFDReference 1847 https://doi.org/10.5517/ccdc.csd.cc2d6px7>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6px7] CCDC 2210979: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11331>C>11333>>ccdc.csd.cc2d6px7> [IFDReference 1848 https://doi.org/10.5517/ccdc.csd.cc2d6px7>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6px7] CCDC 2210979: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11298> [IFDReference 1849 https://doi.org/10.14469/hpc/11298>as>null url:null doi:https://doi.org/10.14469/hpc/11298] Compound 11: (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium +10.14469/hpc/10386>C>11298>C>11562> [IFDReference 1850 https://doi.org/10.14469/hpc/11562>as>null url:null doi:https://doi.org/10.14469/hpc/11562] NMR Data for Compound 11. +10.14469/hpc/10386>C>11298>C>11562>C>11565> [IFDReference 1851 https://doi.org/10.14469/hpc/11565>as>null url:null doi:https://doi.org/10.14469/hpc/11565] NMR Data for (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 1H, 13C, HMBC 10.14469/hpc/10386>C>11298>C>11562>C>11565>D>R [IFDReference 1854 https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=3>as>11-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=3 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11565>D>R [IFDReference 1853 https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=2>as>11-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=2 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11565>D>R [IFDReference 1855 https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=4>as>11-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=4 doi:null] @@ -1563,7 +1563,7 @@ 10.14469/hpc/10386>C>11298>C>11562>C>11565>D>R [IFDReference 1859 https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=8>as>11.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=8 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11565>D>R [IFDReference 1858 https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=7>as>11.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=7 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11565>D>R [IFDReference 1856 https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=5>as>11.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11565&file=5 doi:null] -10.14469/hpc/10386>C>11298>C>11562>C>11567> [IFDReference 1860 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11567>as>10.14469_hpc_11567.xml url:null doi:https://doi.org/10.14469/hpc/11567] NMR data for (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 1H, 13C, HSQC +10.14469/hpc/10386>C>11298>C>11562>C>11567> [IFDReference 1860 https://doi.org/10.14469/hpc/11567>as>null url:null doi:https://doi.org/10.14469/hpc/11567] NMR data for (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 1H, 13C, HSQC 10.14469/hpc/10386>C>11298>C>11562>C>11567>D>R [IFDReference 1863 https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=3>as>11-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=3 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11567>D>R [IFDReference 1862 https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=2>as>11-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=2 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11567>D>R [IFDReference 1864 https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=4>as>11-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=4 doi:null] @@ -1571,7 +1571,7 @@ 10.14469/hpc/10386>C>11298>C>11562>C>11567>D>R [IFDReference 1868 https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=8>as>11.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=8 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11567>D>R [IFDReference 1867 https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=7>as>11.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=7 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11567>D>R [IFDReference 1865 https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=5>as>11.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11567&file=5 doi:null] -10.14469/hpc/10386>C>11298>C>11562>C>11566> [IFDReference 1869 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11566>as>10.14469_hpc_11566.xml url:null doi:https://doi.org/10.14469/hpc/11566] NMR Data for (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 1H, COSY +10.14469/hpc/10386>C>11298>C>11562>C>11566> [IFDReference 1869 https://doi.org/10.14469/hpc/11566>as>null url:null doi:https://doi.org/10.14469/hpc/11566] NMR Data for (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 1H, COSY 10.14469/hpc/10386>C>11298>C>11562>C>11566>D>R [IFDReference 1872 https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=3>as>11-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=3 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11566>D>R [IFDReference 1871 https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=2>as>11-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=2 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11566>D>R [IFDReference 1873 https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=4>as>11-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=4 doi:null] @@ -1579,7 +1579,7 @@ 10.14469/hpc/10386>C>11298>C>11562>C>11566>D>R [IFDReference 1877 https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=8>as>11.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=8 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11566>D>R [IFDReference 1876 https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=7>as>11.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=7 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11566>D>R [IFDReference 1874 https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=5>as>11.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11566&file=5 doi:null] -10.14469/hpc/10386>C>11298>C>11562>C>11563> [IFDReference 1878 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11563>as>10.14469_hpc_11563.xml url:null doi:https://doi.org/10.14469/hpc/11563] NMR Data for (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 1H +10.14469/hpc/10386>C>11298>C>11562>C>11563> [IFDReference 1878 https://doi.org/10.14469/hpc/11563>as>null url:null doi:https://doi.org/10.14469/hpc/11563] NMR Data for (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 1H 10.14469/hpc/10386>C>11298>C>11562>C>11563>D>R [IFDReference 1881 https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=3>as>11-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=3 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11563>D>R [IFDReference 1880 https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=2>as>11-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=2 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11563>D>R [IFDReference 1882 https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=4>as>11-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=4 doi:null] @@ -1587,27 +1587,27 @@ 10.14469/hpc/10386>C>11298>C>11562>C>11563>D>R [IFDReference 1886 https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=8>as>11.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=8 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11563>D>R [IFDReference 1885 https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=7>as>11.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=7 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11563>D>R [IFDReference 1883 https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=5>as>11.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11563&file=5 doi:null] -10.14469/hpc/10386>C>11298>C>11562>C>11564> [IFDReference 1887 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11564>as>10.14469_hpc_11564.xml url:null doi:https://doi.org/10.14469/hpc/11564] NMR Data for(4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 13C +10.14469/hpc/10386>C>11298>C>11562>C>11564> [IFDReference 1887 https://doi.org/10.14469/hpc/11564>as>null url:null doi:https://doi.org/10.14469/hpc/11564] NMR Data for(4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 13C 10.14469/hpc/10386>C>11298>C>11562>C>11564>D>R [IFDReference 1889 https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=2>as>11-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=2 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11564>D>R [IFDReference 1890 https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=3>as>11-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=3 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11564>D>R [IFDReference 1888 https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=1>as>11-13C.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=1 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11564>D>R [IFDReference 1894 https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=7>as>11.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=7 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11564>D>R [IFDReference 1893 https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=6>as>11.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=6 doi:null] 10.14469/hpc/10386>C>11298>C>11562>C>11564>D>R [IFDReference 1891 https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=4>as>11.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11564&file=4 doi:null] -10.14469/hpc/10386>C>11298>C>11561> [IFDReference 1895 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11561>as>10.14469_hpc_11561.xml url:null doi:https://doi.org/10.14469/hpc/11561] IR data for Compound 11. +10.14469/hpc/10386>C>11298>C>11561> [IFDReference 1895 https://doi.org/10.14469/hpc/11561>as>null url:null doi:https://doi.org/10.14469/hpc/11561] IR data for Compound 11. 10.14469/hpc/10386>C>11298>C>11561>D>R [IFDReference 1900 https://data.hpc.imperial.ac.uk/resolve/?doi=11561&file=5>as>11.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11561&file=5 doi:null] 10.14469/hpc/10386>C>11298>C>11561>D>R [IFDReference 1899 https://data.hpc.imperial.ac.uk/resolve/?doi=11561&file=4>as>11.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11561&file=4 doi:null] 10.14469/hpc/10386>C>11298>C>11561>D>R [IFDReference 1897 https://data.hpc.imperial.ac.uk/resolve/?doi=11561&file=2>as>11.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11561&file=2 doi:null] 10.14469/hpc/10386>C>11298>C>11561>D>R [IFDReference 1896 https://data.hpc.imperial.ac.uk/resolve/?doi=11561&file=1>as>TM-VI-251_2022-07-19T17-59-29.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11561&file=1 doi:null] -10.14469/hpc/10386>C>11298>C>11327> [IFDReference 1901 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11327>as>10.14469_hpc_11327.xml url:null doi:https://doi.org/10.14469/hpc/11327] Crystal data for Compound 11. (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium +10.14469/hpc/10386>C>11298>C>11327> [IFDReference 1901 https://doi.org/10.14469/hpc/11327>as>null url:null doi:https://doi.org/10.14469/hpc/11327] Crystal data for Compound 11. (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium 10.14469/hpc/10386>C>11298>C>11327>D>R [IFDReference 1906 https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=5>as>11.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=5 doi:null] 10.14469/hpc/10386>C>11298>C>11327>D>R [IFDReference 1907 https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=6>as>11.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=6 doi:null] 10.14469/hpc/10386>C>11298>C>11327>D>R [IFDReference 1903 https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=2>as>AB2238.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=2 doi:null] 10.14469/hpc/10386>C>11298>C>11327>D>R [IFDReference 1904 https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=3>as>AB2238.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=3 doi:null] 10.14469/hpc/10386>C>11298>C>11327>D>R [IFDReference 1902 https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=1>as>AB2238.zip.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11327&file=1 doi:null] -10.14469/hpc/10386>C>11360> [IFDReference 1908 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11360>as>10.14469_hpc_11360.xml url:null doi:https://doi.org/10.14469/hpc/11360] Compound 25: Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer -10.14469/hpc/10386>C>11360>C>11609> [IFDReference 1909 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11609>as>10.14469_hpc_11609.xml url:null doi:https://doi.org/10.14469/hpc/11609] NMR Data for Compound 25. -10.14469/hpc/10386>C>11360>C>11609>C>11649> [IFDReference 1910 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11649>as>10.14469_hpc_11649.xml url:null doi:https://doi.org/10.14469/hpc/11649] NMR Data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 1H, COSY +10.14469/hpc/10386>C>11360> [IFDReference 1908 https://doi.org/10.14469/hpc/11360>as>null url:null doi:https://doi.org/10.14469/hpc/11360] Compound 25: Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer +10.14469/hpc/10386>C>11360>C>11609> [IFDReference 1909 https://doi.org/10.14469/hpc/11609>as>null url:null doi:https://doi.org/10.14469/hpc/11609] NMR Data for Compound 25. +10.14469/hpc/10386>C>11360>C>11609>C>11649> [IFDReference 1910 https://doi.org/10.14469/hpc/11649>as>null url:null doi:https://doi.org/10.14469/hpc/11649] NMR Data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 1H, COSY 10.14469/hpc/10386>C>11360>C>11609>C>11649>D>R [IFDReference 1913 https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=3>as>25-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=3 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11649>D>R [IFDReference 1912 https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=2>as>25-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=2 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11649>D>R [IFDReference 1914 https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=4>as>25-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=4 doi:null] @@ -1615,7 +1615,7 @@ 10.14469/hpc/10386>C>11360>C>11609>C>11649>D>R [IFDReference 1916 https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=6>as>25.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=6 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11649>D>R [IFDReference 1917 https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=7>as>25.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=7 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11649>D>R [IFDReference 1915 https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=5>as>25.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11649&file=5 doi:null] -10.14469/hpc/10386>C>11360>C>11609>C>11648> [IFDReference 1918 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11648>as>10.14469_hpc_11648.xml url:null doi:https://doi.org/10.14469/hpc/11648] NMR Data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 13C +10.14469/hpc/10386>C>11360>C>11609>C>11648> [IFDReference 1918 https://doi.org/10.14469/hpc/11648>as>null url:null doi:https://doi.org/10.14469/hpc/11648] NMR Data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 13C 10.14469/hpc/10386>C>11360>C>11609>C>11648>D>R [IFDReference 1921 https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=3>as>25-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=3 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11648>D>R [IFDReference 1920 https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=2>as>25-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=2 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11648>D>R [IFDReference 1922 https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=4>as>25-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=4 doi:null] @@ -1623,7 +1623,7 @@ 10.14469/hpc/10386>C>11360>C>11609>C>11648>D>R [IFDReference 1924 https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=6>as>25.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=6 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11648>D>R [IFDReference 1925 https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=7>as>25.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=7 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11648>D>R [IFDReference 1923 https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=5>as>25.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11648&file=5 doi:null] -10.14469/hpc/10386>C>11360>C>11609>C>11646> [IFDReference 1926 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11646>as>10.14469_hpc_11646.xml url:null doi:https://doi.org/10.14469/hpc/11646] NMR Data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 1H +10.14469/hpc/10386>C>11360>C>11609>C>11646> [IFDReference 1926 https://doi.org/10.14469/hpc/11646>as>null url:null doi:https://doi.org/10.14469/hpc/11646] NMR Data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 1H 10.14469/hpc/10386>C>11360>C>11609>C>11646>D>R [IFDReference 1929 https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=3>as>25-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=3 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11646>D>R [IFDReference 1928 https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=2>as>25-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=2 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11646>D>R [IFDReference 1930 https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=4>as>25-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=4 doi:null] @@ -1631,7 +1631,7 @@ 10.14469/hpc/10386>C>11360>C>11609>C>11646>D>R [IFDReference 1932 https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=6>as>25.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=6 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11646>D>R [IFDReference 1933 https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=7>as>25.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=7 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11646>D>R [IFDReference 1931 https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=5>as>25.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11646&file=5 doi:null] -10.14469/hpc/10386>C>11360>C>11609>C>11651> [IFDReference 1934 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11651>as>10.14469_hpc_11651.xml url:null doi:https://doi.org/10.14469/hpc/11651] NMR Data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 1H, 13C, HMBC +10.14469/hpc/10386>C>11360>C>11609>C>11651> [IFDReference 1934 https://doi.org/10.14469/hpc/11651>as>null url:null doi:https://doi.org/10.14469/hpc/11651] NMR Data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 1H, 13C, HMBC 10.14469/hpc/10386>C>11360>C>11609>C>11651>D>R [IFDReference 1937 https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=3>as>25-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=3 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11651>D>R [IFDReference 1936 https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=2>as>25-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=2 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11651>D>R [IFDReference 1938 https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=4>as>25-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=4 doi:null] @@ -1639,7 +1639,7 @@ 10.14469/hpc/10386>C>11360>C>11609>C>11651>D>R [IFDReference 1940 https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=6>as>25.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=6 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11651>D>R [IFDReference 1941 https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=7>as>25.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=7 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11651>D>R [IFDReference 1939 https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=5>as>25.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11651&file=5 doi:null] -10.14469/hpc/10386>C>11360>C>11609>C>11650> [IFDReference 1942 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11650>as>10.14469_hpc_11650.xml url:null doi:https://doi.org/10.14469/hpc/11650] NMR data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 1H, 13C, HSQC +10.14469/hpc/10386>C>11360>C>11609>C>11650> [IFDReference 1942 https://doi.org/10.14469/hpc/11650>as>null url:null doi:https://doi.org/10.14469/hpc/11650] NMR data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25), 1H, 13C, HSQC 10.14469/hpc/10386>C>11360>C>11609>C>11650>D>R [IFDReference 1945 https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=3>as>25-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=3 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11650>D>R [IFDReference 1944 https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=2>as>25-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=2 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11650>D>R [IFDReference 1946 https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=4>as>25-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=4 doi:null] @@ -1647,47 +1647,47 @@ 10.14469/hpc/10386>C>11360>C>11609>C>11650>D>R [IFDReference 1948 https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=6>as>25.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=6 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11650>D>R [IFDReference 1949 https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=7>as>25.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=7 doi:null] 10.14469/hpc/10386>C>11360>C>11609>C>11650>D>R [IFDReference 1947 https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=5>as>25.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11650&file=5 doi:null] -10.14469/hpc/10386>C>11360>C>11608> [IFDReference 1950 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11608>as>10.14469_hpc_11608.xml url:null doi:https://doi.org/10.14469/hpc/11608] IR Data for Compound 25. +10.14469/hpc/10386>C>11360>C>11608> [IFDReference 1950 https://doi.org/10.14469/hpc/11608>as>null url:null doi:https://doi.org/10.14469/hpc/11608] IR Data for Compound 25. 10.14469/hpc/10386>C>11360>C>11608>D>R [IFDReference 1953 https://data.hpc.imperial.ac.uk/resolve/?doi=11608&file=3>as>25.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11608&file=3 doi:null] 10.14469/hpc/10386>C>11360>C>11608>D>R [IFDReference 1954 https://data.hpc.imperial.ac.uk/resolve/?doi=11608&file=4>as>25.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11608&file=4 doi:null] 10.14469/hpc/10386>C>11360>C>11608>D>R [IFDReference 1952 https://data.hpc.imperial.ac.uk/resolve/?doi=11608&file=2>as>25.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11608&file=2 doi:null] 10.14469/hpc/10386>C>11360>C>11608>D>R [IFDReference 1951 https://data.hpc.imperial.ac.uk/resolve/?doi=11608&file=1>as>TM-VI-171_2021-11-24T15-53-04.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11608&file=1 doi:null] -10.14469/hpc/10386>C>11360>C>11361> [IFDReference 1955 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11361>as>10.14469_hpc_11361.xml url:null doi:https://doi.org/10.14469/hpc/11361] Crystal data for Compound 25. Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer +10.14469/hpc/10386>C>11360>C>11361> [IFDReference 1955 https://doi.org/10.14469/hpc/11361>as>null url:null doi:https://doi.org/10.14469/hpc/11361] Crystal data for Compound 25. Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer 10.14469/hpc/10386>C>11360>C>11361>D>R [IFDReference 1959 https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=4>as>25.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=4 doi:null] 10.14469/hpc/10386>C>11360>C>11361>D>R [IFDReference 1960 https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=5>as>25.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=5 doi:null] 10.14469/hpc/10386>C>11360>C>11361>D>R [IFDReference 1957 https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=2>as>AB2141.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=2 doi:null] 10.14469/hpc/10386>C>11360>C>11361>D>R [IFDReference 1956 https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=1>as>AB2141.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=1 doi:null] 10.14469/hpc/10386>C>11360>C>11361>D>R [IFDReference 1958 https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=3>as>AB2141.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11361&file=3 doi:null] -10.14469/hpc/10386>C>11360>C>11361>D>ccdc.csd.cc2d6rft> [IFDReference 1961 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6rft>as>10.5517_ccdc.csd.cc2d6rft.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6rft] CCDC 2211026: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11397> [IFDReference 1962 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11397>as>10.14469_hpc_11397.xml url:null doi:https://doi.org/10.14469/hpc/11397] Compound 46: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)iron -10.14469/hpc/10386>C>11397>C>11494> [IFDReference 1963 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11494>as>10.14469_hpc_11494.xml url:null doi:https://doi.org/10.14469/hpc/11494] IR data for Compound 46 +10.14469/hpc/10386>C>11360>C>11361>D>ccdc.csd.cc2d6rft> [IFDReference 1961 https://doi.org/10.5517/ccdc.csd.cc2d6rft>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6rft] CCDC 2211026: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11397> [IFDReference 1962 https://doi.org/10.14469/hpc/11397>as>null url:null doi:https://doi.org/10.14469/hpc/11397] Compound 46: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)iron +10.14469/hpc/10386>C>11397>C>11494> [IFDReference 1963 https://doi.org/10.14469/hpc/11494>as>null url:null doi:https://doi.org/10.14469/hpc/11494] IR data for Compound 46 10.14469/hpc/10386>C>11397>C>11494>D>R [IFDReference 1970 https://data.hpc.imperial.ac.uk/resolve/?doi=11494&file=7>as>46.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11494&file=7 doi:null] 10.14469/hpc/10386>C>11397>C>11494>D>R [IFDReference 1969 https://data.hpc.imperial.ac.uk/resolve/?doi=11494&file=6>as>46.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11494&file=6 doi:null] 10.14469/hpc/10386>C>11397>C>11494>D>R [IFDReference 1971 https://data.hpc.imperial.ac.uk/resolve/?doi=11494&file=8>as>46.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11494&file=8 doi:null] 10.14469/hpc/10386>C>11397>C>11494>D>R [IFDReference 1964 https://data.hpc.imperial.ac.uk/resolve/?doi=11494&file=1>as>TM-VI-232_2022-01-21T17-56-19.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11494&file=1 doi:null] -10.14469/hpc/10386>C>11397>C>11418> [IFDReference 1972 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11418>as>10.14469_hpc_11418.xml url:null doi:https://doi.org/10.14469/hpc/11418] Primary crystal structure data for Compound 46. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)iron +10.14469/hpc/10386>C>11397>C>11418> [IFDReference 1972 https://doi.org/10.14469/hpc/11418>as>null url:null doi:https://doi.org/10.14469/hpc/11418] Primary crystal structure data for Compound 46. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)iron 10.14469/hpc/10386>C>11397>C>11418>D>R [IFDReference 1978 https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=6>as>46.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=6 doi:null] 10.14469/hpc/10386>C>11397>C>11418>D>R [IFDReference 1977 https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=5>as>46.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=5 doi:null] 10.14469/hpc/10386>C>11397>C>11418>D>R [IFDReference 1974 https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=2>as>AB2210.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=2 doi:null] 10.14469/hpc/10386>C>11397>C>11418>D>R [IFDReference 1973 https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=1>as>AB2210.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=1 doi:null] 10.14469/hpc/10386>C>11397>C>11418>D>R [IFDReference 1975 https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=3>as>AB2210.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11418&file=3 doi:null] -10.14469/hpc/10386>C>11397>C>11418>D>ccdc.csd.cc2d6qcq> [IFDReference 1979 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qcq>as>10.5517_ccdc.csd.cc2d6qcq.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qcq] CCDC 2210993: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11409> [IFDReference 1980 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11409>as>10.14469_hpc_11409.xml url:null doi:https://doi.org/10.14469/hpc/11409] Compound 66: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)dysprosium -10.14469/hpc/10386>C>11409>C>11493> [IFDReference 1981 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11493>as>10.14469_hpc_11493.xml url:null doi:https://doi.org/10.14469/hpc/11493] IR data for Compound 66 +10.14469/hpc/10386>C>11397>C>11418>D>ccdc.csd.cc2d6qcq> [IFDReference 1979 https://doi.org/10.5517/ccdc.csd.cc2d6qcq>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qcq] CCDC 2210993: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11409> [IFDReference 1980 https://doi.org/10.14469/hpc/11409>as>null url:null doi:https://doi.org/10.14469/hpc/11409] Compound 66: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)dysprosium +10.14469/hpc/10386>C>11409>C>11493> [IFDReference 1981 https://doi.org/10.14469/hpc/11493>as>null url:null doi:https://doi.org/10.14469/hpc/11493] IR data for Compound 66 10.14469/hpc/10386>C>11409>C>11493>D>R [IFDReference 1986 https://data.hpc.imperial.ac.uk/resolve/?doi=11493&file=5>as>66.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11493&file=5 doi:null] 10.14469/hpc/10386>C>11409>C>11493>D>R [IFDReference 1985 https://data.hpc.imperial.ac.uk/resolve/?doi=11493&file=4>as>66.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11493&file=4 doi:null] 10.14469/hpc/10386>C>11409>C>11493>D>R [IFDReference 1987 https://data.hpc.imperial.ac.uk/resolve/?doi=11493&file=6>as>66.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11493&file=6 doi:null] 10.14469/hpc/10386>C>11409>C>11493>D>R [IFDReference 1982 https://data.hpc.imperial.ac.uk/resolve/?doi=11493&file=1>as>TM-VI-224_2021-12-20T14-47-43.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11493&file=1 doi:null] -10.14469/hpc/10386>C>11409>C>11436> [IFDReference 1988 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11436>as>10.14469_hpc_11436.xml url:null doi:https://doi.org/10.14469/hpc/11436] Primary crystal structure data for Compound 66. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)dysprosium +10.14469/hpc/10386>C>11409>C>11436> [IFDReference 1988 https://doi.org/10.14469/hpc/11436>as>null url:null doi:https://doi.org/10.14469/hpc/11436] Primary crystal structure data for Compound 66. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)dysprosium 10.14469/hpc/10386>C>11409>C>11436>D>R [IFDReference 1993 https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=5>as>66.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=5 doi:null] 10.14469/hpc/10386>C>11409>C>11436>D>R [IFDReference 1994 https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=6>as>66.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=6 doi:null] 10.14469/hpc/10386>C>11409>C>11436>D>R [IFDReference 1990 https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=2>as>AB2202.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=2 doi:null] 10.14469/hpc/10386>C>11409>C>11436>D>R [IFDReference 1989 https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=1>as>AB2202.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=1 doi:null] 10.14469/hpc/10386>C>11409>C>11436>D>R [IFDReference 1991 https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=3>as>AB2202.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11436&file=3 doi:null] -10.14469/hpc/10386>C>11409>C>11436>D>ccdc.csd.cc2d6qw7> [IFDReference 1995 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qw7>as>10.5517_ccdc.csd.cc2d6qw7.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qw7] CCDC 2211009: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11257> [IFDReference 1996 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11257>as>10.14469_hpc_11257.xml url:null doi:https://doi.org/10.14469/hpc/11257] Compound 12: (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium -10.14469/hpc/10386>C>11257>C>11555> [IFDReference 1997 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11555>as>10.14469_hpc_11555.xml url:null doi:https://doi.org/10.14469/hpc/11555] NMR Data for Compound 12. -10.14469/hpc/10386>C>11257>C>11555>C>11558> [IFDReference 1998 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11558>as>10.14469_hpc_11558.xml url:null doi:https://doi.org/10.14469/hpc/11558] NMR Data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 1H, 13C, HSQC +10.14469/hpc/10386>C>11409>C>11436>D>ccdc.csd.cc2d6qw7> [IFDReference 1995 https://doi.org/10.5517/ccdc.csd.cc2d6qw7>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qw7] CCDC 2211009: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11257> [IFDReference 1996 https://doi.org/10.14469/hpc/11257>as>null url:null doi:https://doi.org/10.14469/hpc/11257] Compound 12: (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium +10.14469/hpc/10386>C>11257>C>11555> [IFDReference 1997 https://doi.org/10.14469/hpc/11555>as>null url:null doi:https://doi.org/10.14469/hpc/11555] NMR Data for Compound 12. +10.14469/hpc/10386>C>11257>C>11555>C>11558> [IFDReference 1998 https://doi.org/10.14469/hpc/11558>as>null url:null doi:https://doi.org/10.14469/hpc/11558] NMR Data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 1H, 13C, HSQC 10.14469/hpc/10386>C>11257>C>11555>C>11558>D>R [IFDReference 2000 https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=2>as>12-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=2 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11558>D>R [IFDReference 2002 https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=4>as>12-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=4 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11558>D>R [IFDReference 1999 https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=1>as>12-hsqc.zip url:https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=1 doi:null] @@ -1695,7 +1695,7 @@ 10.14469/hpc/10386>C>11257>C>11555>C>11558>D>R [IFDReference 2005 https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=7>as>12.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=7 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11558>D>R [IFDReference 2003 https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=5>as>12.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=5 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11558>D>R [IFDReference 2001 https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=3>as>12hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11558&file=3 doi:null] -10.14469/hpc/10386>C>11257>C>11555>C>11560> [IFDReference 2007 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11560>as>10.14469_hpc_11560.xml url:null doi:https://doi.org/10.14469/hpc/11560] NMR Data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 1H, 13C, HMBC +10.14469/hpc/10386>C>11257>C>11555>C>11560> [IFDReference 2007 https://doi.org/10.14469/hpc/11560>as>null url:null doi:https://doi.org/10.14469/hpc/11560] NMR Data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 1H, 13C, HMBC 10.14469/hpc/10386>C>11257>C>11555>C>11560>D>R [IFDReference 2010 https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=3>as>12-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=3 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11560>D>R [IFDReference 2009 https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=2>as>12-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=2 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11560>D>R [IFDReference 2011 https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=4>as>12-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=4 doi:null] @@ -1703,7 +1703,7 @@ 10.14469/hpc/10386>C>11257>C>11555>C>11560>D>R [IFDReference 2015 https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=8>as>12.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=8 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11560>D>R [IFDReference 2014 https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=7>as>12.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=7 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11560>D>R [IFDReference 2012 https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=5>as>12.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11560&file=5 doi:null] -10.14469/hpc/10386>C>11257>C>11555>C>11559> [IFDReference 2016 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11559>as>10.14469_hpc_11559.xml url:null doi:https://doi.org/10.14469/hpc/11559] NMR Spectrum for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 1H, COSY +10.14469/hpc/10386>C>11257>C>11555>C>11559> [IFDReference 2016 https://doi.org/10.14469/hpc/11559>as>null url:null doi:https://doi.org/10.14469/hpc/11559] NMR Spectrum for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 1H, COSY 10.14469/hpc/10386>C>11257>C>11555>C>11559>D>R [IFDReference 2019 https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=3>as>12-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=3 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11559>D>R [IFDReference 2018 https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=2>as>12-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=2 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11559>D>R [IFDReference 2020 https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=4>as>12-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=4 doi:null] @@ -1711,7 +1711,7 @@ 10.14469/hpc/10386>C>11257>C>11555>C>11559>D>R [IFDReference 2024 https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=8>as>12.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=8 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11559>D>R [IFDReference 2023 https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=7>as>12.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=7 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11559>D>R [IFDReference 2021 https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=5>as>12.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11559&file=5 doi:null] -10.14469/hpc/10386>C>11257>C>11555>C>11557> [IFDReference 2025 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11557>as>10.14469_hpc_11557.xml url:null doi:https://doi.org/10.14469/hpc/11557] NMR Data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 13C +10.14469/hpc/10386>C>11257>C>11555>C>11557> [IFDReference 2025 https://doi.org/10.14469/hpc/11557>as>null url:null doi:https://doi.org/10.14469/hpc/11557] NMR Data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 13C 10.14469/hpc/10386>C>11257>C>11555>C>11557>D>R [IFDReference 2028 https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=3>as>12-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=3 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11557>D>R [IFDReference 2027 https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=2>as>12-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=2 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11557>D>R [IFDReference 2029 https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=4>as>12-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=4 doi:null] @@ -1719,7 +1719,7 @@ 10.14469/hpc/10386>C>11257>C>11555>C>11557>D>R [IFDReference 2033 https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=8>as>12.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=8 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11557>D>R [IFDReference 2032 https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=7>as>12.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=7 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11557>D>R [IFDReference 2030 https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=5>as>12.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11557&file=5 doi:null] -10.14469/hpc/10386>C>11257>C>11555>C>11556> [IFDReference 2034 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11556>as>10.14469_hpc_11556.xml url:null doi:https://doi.org/10.14469/hpc/11556] NMR Data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 1H +10.14469/hpc/10386>C>11257>C>11555>C>11556> [IFDReference 2034 https://doi.org/10.14469/hpc/11556>as>null url:null doi:https://doi.org/10.14469/hpc/11556] NMR Data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 1H 10.14469/hpc/10386>C>11257>C>11555>C>11556>D>R [IFDReference 2037 https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=3>as>12-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=3 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11556>D>R [IFDReference 2036 https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=2>as>12-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=2 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11556>D>R [IFDReference 2038 https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=4>as>12-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=4 doi:null] @@ -1727,20 +1727,20 @@ 10.14469/hpc/10386>C>11257>C>11555>C>11556>D>R [IFDReference 2042 https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=8>as>12.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=8 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11556>D>R [IFDReference 2041 https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=7>as>12.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=7 doi:null] 10.14469/hpc/10386>C>11257>C>11555>C>11556>D>R [IFDReference 2039 https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=5>as>12.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11556&file=5 doi:null] -10.14469/hpc/10386>C>11257>C>11554> [IFDReference 2043 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11554>as>10.14469_hpc_11554.xml url:null doi:https://doi.org/10.14469/hpc/11554] IR Data for Compound 12. +10.14469/hpc/10386>C>11257>C>11554> [IFDReference 2043 https://doi.org/10.14469/hpc/11554>as>null url:null doi:https://doi.org/10.14469/hpc/11554] IR Data for Compound 12. 10.14469/hpc/10386>C>11257>C>11554>D>R [IFDReference 2048 https://data.hpc.imperial.ac.uk/resolve/?doi=11554&file=5>as>12.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11554&file=5 doi:null] 10.14469/hpc/10386>C>11257>C>11554>D>R [IFDReference 2047 https://data.hpc.imperial.ac.uk/resolve/?doi=11554&file=4>as>12.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11554&file=4 doi:null] 10.14469/hpc/10386>C>11257>C>11554>D>R [IFDReference 2045 https://data.hpc.imperial.ac.uk/resolve/?doi=11554&file=2>as>12.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11554&file=2 doi:null] 10.14469/hpc/10386>C>11257>C>11554>D>R [IFDReference 2044 https://data.hpc.imperial.ac.uk/resolve/?doi=11554&file=1>as>TM-VI-333_2022-07-21T16-10-23.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11554&file=1 doi:null] -10.14469/hpc/10386>C>11257>C>11328> [IFDReference 2049 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11328>as>10.14469_hpc_11328.xml url:null doi:https://doi.org/10.14469/hpc/11328] Crystal data for compound 12.(4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium +10.14469/hpc/10386>C>11257>C>11328> [IFDReference 2049 https://doi.org/10.14469/hpc/11328>as>null url:null doi:https://doi.org/10.14469/hpc/11328] Crystal data for compound 12.(4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium 10.14469/hpc/10386>C>11257>C>11328>D>R [IFDReference 2054 https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=5>as>12.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=5 doi:null] 10.14469/hpc/10386>C>11257>C>11328>D>R [IFDReference 2055 https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=6>as>12.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=6 doi:null] 10.14469/hpc/10386>C>11257>C>11328>D>R [IFDReference 2051 https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=2>as>AB2120.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=2 doi:null] 10.14469/hpc/10386>C>11257>C>11328>D>R [IFDReference 2050 https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=1>as>AB2120.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=1 doi:null] 10.14469/hpc/10386>C>11257>C>11328>D>R [IFDReference 2052 https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=3>as>AB2120.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11328&file=3 doi:null] -10.14469/hpc/10386>C>11362> [IFDReference 2056 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11362>as>10.14469_hpc_11362.xml url:null doi:https://doi.org/10.14469/hpc/11362] Compound 28: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium -10.14469/hpc/10386>C>11362>C>11594> [IFDReference 2057 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11594>as>10.14469_hpc_11594.xml url:null doi:https://doi.org/10.14469/hpc/11594] NMR Data for Compound 28. -10.14469/hpc/10386>C>11362>C>11594>C>11598> [IFDReference 2058 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11598>as>10.14469_hpc_11598.xml url:null doi:https://doi.org/10.14469/hpc/11598] NMR Data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium (28), 1H +10.14469/hpc/10386>C>11362> [IFDReference 2056 https://doi.org/10.14469/hpc/11362>as>null url:null doi:https://doi.org/10.14469/hpc/11362] Compound 28: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium +10.14469/hpc/10386>C>11362>C>11594> [IFDReference 2057 https://doi.org/10.14469/hpc/11594>as>null url:null doi:https://doi.org/10.14469/hpc/11594] NMR Data for Compound 28. +10.14469/hpc/10386>C>11362>C>11594>C>11598> [IFDReference 2058 https://doi.org/10.14469/hpc/11598>as>null url:null doi:https://doi.org/10.14469/hpc/11598] NMR Data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium (28), 1H 10.14469/hpc/10386>C>11362>C>11594>C>11598>D>R [IFDReference 2061 https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=3>as>28-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=3 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11598>D>R [IFDReference 2060 https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=2>as>28-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=2 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11598>D>R [IFDReference 2062 https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=4>as>28-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=4 doi:null] @@ -1748,7 +1748,7 @@ 10.14469/hpc/10386>C>11362>C>11594>C>11598>D>R [IFDReference 2070 https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=12>as>28.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=12 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11598>D>R [IFDReference 2067 https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=9>as>28.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=9 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11598>D>R [IFDReference 2069 https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=11>as>28.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11598&file=11 doi:null] -10.14469/hpc/10386>C>11362>C>11594>C>11600> [IFDReference 2071 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11600>as>10.14469_hpc_11600.xml url:null doi:https://doi.org/10.14469/hpc/11600] NMR data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium (28), 1H, 13C, HSQC +10.14469/hpc/10386>C>11362>C>11594>C>11600> [IFDReference 2071 https://doi.org/10.14469/hpc/11600>as>null url:null doi:https://doi.org/10.14469/hpc/11600] NMR data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium (28), 1H, 13C, HSQC 10.14469/hpc/10386>C>11362>C>11594>C>11600>D>R [IFDReference 2074 https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=3>as>28-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=3 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11600>D>R [IFDReference 2073 https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=2>as>28-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=2 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11600>D>R [IFDReference 2075 https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=4>as>28-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=4 doi:null] @@ -1756,7 +1756,7 @@ 10.14469/hpc/10386>C>11362>C>11594>C>11600>D>R [IFDReference 2083 https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=12>as>28.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=12 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11600>D>R [IFDReference 2080 https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=9>as>28.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=9 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11600>D>R [IFDReference 2082 https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=11>as>28.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11600&file=11 doi:null] -10.14469/hpc/10386>C>11362>C>11594>C>11599> [IFDReference 2084 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11599>as>10.14469_hpc_11599.xml url:null doi:https://doi.org/10.14469/hpc/11599] NMR Data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium (28), 13C +10.14469/hpc/10386>C>11362>C>11594>C>11599> [IFDReference 2084 https://doi.org/10.14469/hpc/11599>as>null url:null doi:https://doi.org/10.14469/hpc/11599] NMR Data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium (28), 13C 10.14469/hpc/10386>C>11362>C>11594>C>11599>D>R [IFDReference 2087 https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=3>as>28-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=3 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11599>D>R [IFDReference 2086 https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=2>as>28-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=2 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11599>D>R [IFDReference 2088 https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=4>as>28-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=4 doi:null] @@ -1764,12 +1764,12 @@ 10.14469/hpc/10386>C>11362>C>11594>C>11599>D>R [IFDReference 2096 https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=12>as>28.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=12 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11599>D>R [IFDReference 2093 https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=9>as>28.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=9 doi:null] 10.14469/hpc/10386>C>11362>C>11594>C>11599>D>R [IFDReference 2095 https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=11>as>28.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11599&file=11 doi:null] -10.14469/hpc/10386>C>11362>C>11593> [IFDReference 2097 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11593>as>10.14469_hpc_11593.xml url:null doi:https://doi.org/10.14469/hpc/11593] IR Spectrum for Compound 28. +10.14469/hpc/10386>C>11362>C>11593> [IFDReference 2097 https://doi.org/10.14469/hpc/11593>as>null url:null doi:https://doi.org/10.14469/hpc/11593] IR Spectrum for Compound 28. 10.14469/hpc/10386>C>11362>C>11593>D>R [IFDReference 2106 https://data.hpc.imperial.ac.uk/resolve/?doi=11593&file=9>as>28.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11593&file=9 doi:null] 10.14469/hpc/10386>C>11362>C>11593>D>R [IFDReference 2103 https://data.hpc.imperial.ac.uk/resolve/?doi=11593&file=6>as>28.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11593&file=6 doi:null] 10.14469/hpc/10386>C>11362>C>11593>D>R [IFDReference 2105 https://data.hpc.imperial.ac.uk/resolve/?doi=11593&file=8>as>28.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11593&file=8 doi:null] 10.14469/hpc/10386>C>11362>C>11593>D>R [IFDReference 2098 https://data.hpc.imperial.ac.uk/resolve/?doi=11593&file=1>as>TM-VI-273_2022-02-21T17-08-44.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11593&file=1 doi:null] -10.14469/hpc/10386>C>11362>C>11363> [IFDReference 2107 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11363>as>10.14469_hpc_11363.xml url:null doi:https://doi.org/10.14469/hpc/11363] Crystal data for Compound 28. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium +10.14469/hpc/10386>C>11362>C>11363> [IFDReference 2107 https://doi.org/10.14469/hpc/11363>as>null url:null doi:https://doi.org/10.14469/hpc/11363] Crystal data for Compound 28. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium 10.14469/hpc/10386>C>11362>C>11363>D>R [IFDReference 2116 https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=9>as>28.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=9 doi:null] 10.14469/hpc/10386>C>11362>C>11363>D>R [IFDReference 2117 https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=10>as>28.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=10 doi:null] 10.14469/hpc/10386>C>11362>C>11363>D>R [IFDReference 2109 https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=2>as>AB2218.7z.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=2 doi:null] @@ -1779,10 +1779,10 @@ 10.14469/hpc/10386>C>11362>C>11363>D>R [IFDReference 2112 https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=5>as>AB2218.zip.001 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=5 doi:null] 10.14469/hpc/10386>C>11362>C>11363>D>R [IFDReference 2113 https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=6>as>AB2218.zip.002 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=6 doi:null] 10.14469/hpc/10386>C>11362>C>11363>D>R [IFDReference 2114 https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=7>as>AB2218.zip.003 url:https://data.hpc.imperial.ac.uk/resolve/?doi=11363&file=7 doi:null] -10.14469/hpc/10386>C>11362>C>11363>D>ccdc.csd.cc2d6q2f> [IFDReference 2118 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6q2f>as>10.5517_ccdc.csd.cc2d6q2f.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q2f] CCDC 2210984: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>11398> [IFDReference 2119 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11398>as>10.14469_hpc_11398.xml url:null doi:https://doi.org/10.14469/hpc/11398] Compound 49: ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer -10.14469/hpc/10386>C>11398>C>11656> [IFDReference 2120 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11656>as>10.14469_hpc_11656.xml url:null doi:https://doi.org/10.14469/hpc/11656] NMR Data for Compound 49. -10.14469/hpc/10386>C>11398>C>11656>C>11660> [IFDReference 2121 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11660>as>10.14469_hpc_11660.xml url:null doi:https://doi.org/10.14469/hpc/11660] NMR data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 13C +10.14469/hpc/10386>C>11362>C>11363>D>ccdc.csd.cc2d6q2f> [IFDReference 2118 https://doi.org/10.5517/ccdc.csd.cc2d6q2f>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6q2f] CCDC 2210984: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>11398> [IFDReference 2119 https://doi.org/10.14469/hpc/11398>as>null url:null doi:https://doi.org/10.14469/hpc/11398] Compound 49: ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer +10.14469/hpc/10386>C>11398>C>11656> [IFDReference 2120 https://doi.org/10.14469/hpc/11656>as>null url:null doi:https://doi.org/10.14469/hpc/11656] NMR Data for Compound 49. +10.14469/hpc/10386>C>11398>C>11656>C>11660> [IFDReference 2121 https://doi.org/10.14469/hpc/11660>as>null url:null doi:https://doi.org/10.14469/hpc/11660] NMR data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 13C 10.14469/hpc/10386>C>11398>C>11656>C>11660>D>R [IFDReference 2124 https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=3>as>49-13C.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=3 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11660>D>R [IFDReference 2123 https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=2>as>49-13C.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=2 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11660>D>R [IFDReference 2125 https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=4>as>49-13C.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=4 doi:null] @@ -1790,7 +1790,7 @@ 10.14469/hpc/10386>C>11398>C>11656>C>11660>D>R [IFDReference 2127 https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=6>as>49.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=6 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11660>D>R [IFDReference 2128 https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=7>as>49.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=7 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11660>D>R [IFDReference 2126 https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=5>as>49.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11660&file=5 doi:null] -10.14469/hpc/10386>C>11398>C>11656>C>11661> [IFDReference 2129 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11661>as>10.14469_hpc_11661.xml url:null doi:https://doi.org/10.14469/hpc/11661] NMR Data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 1H, COSY +10.14469/hpc/10386>C>11398>C>11656>C>11661> [IFDReference 2129 https://doi.org/10.14469/hpc/11661>as>null url:null doi:https://doi.org/10.14469/hpc/11661] NMR Data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 1H, COSY 10.14469/hpc/10386>C>11398>C>11656>C>11661>D>R [IFDReference 2132 https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=3>as>49-cosy.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=3 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11661>D>R [IFDReference 2131 https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=2>as>49-cosy.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=2 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11661>D>R [IFDReference 2133 https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=4>as>49-cosy.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=4 doi:null] @@ -1798,7 +1798,7 @@ 10.14469/hpc/10386>C>11398>C>11656>C>11661>D>R [IFDReference 2135 https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=6>as>49.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=6 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11661>D>R [IFDReference 2136 https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=7>as>49.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=7 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11661>D>R [IFDReference 2134 https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=5>as>49.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11661&file=5 doi:null] -10.14469/hpc/10386>C>11398>C>11656>C>11659> [IFDReference 2137 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11659>as>10.14469_hpc_11659.xml url:null doi:https://doi.org/10.14469/hpc/11659] NMR data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 1H +10.14469/hpc/10386>C>11398>C>11656>C>11659> [IFDReference 2137 https://doi.org/10.14469/hpc/11659>as>null url:null doi:https://doi.org/10.14469/hpc/11659] NMR data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 1H 10.14469/hpc/10386>C>11398>C>11656>C>11659>D>R [IFDReference 2140 https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=3>as>49-1H.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=3 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11659>D>R [IFDReference 2139 https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=2>as>49-1H.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=2 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11659>D>R [IFDReference 2141 https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=4>as>49-1H.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=4 doi:null] @@ -1806,7 +1806,7 @@ 10.14469/hpc/10386>C>11398>C>11656>C>11659>D>R [IFDReference 2143 https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=6>as>49.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=6 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11659>D>R [IFDReference 2144 https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=7>as>49.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=7 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11659>D>R [IFDReference 2142 https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=5>as>49.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11659&file=5 doi:null] -10.14469/hpc/10386>C>11398>C>11656>C>11662> [IFDReference 2145 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11662>as>10.14469_hpc_11662.xml url:null doi:https://doi.org/10.14469/hpc/11662] NMR data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 1H, 13C, HSQC +10.14469/hpc/10386>C>11398>C>11656>C>11662> [IFDReference 2145 https://doi.org/10.14469/hpc/11662>as>null url:null doi:https://doi.org/10.14469/hpc/11662] NMR data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 1H, 13C, HSQC 10.14469/hpc/10386>C>11398>C>11656>C>11662>D>R [IFDReference 2148 https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=3>as>49-hsqc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=3 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11662>D>R [IFDReference 2147 https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=2>as>49-hsqc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=2 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11662>D>R [IFDReference 2149 https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=4>as>49-hsqc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=4 doi:null] @@ -1814,7 +1814,7 @@ 10.14469/hpc/10386>C>11398>C>11656>C>11662>D>R [IFDReference 2151 https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=6>as>49.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=6 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11662>D>R [IFDReference 2152 https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=7>as>49.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=7 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11662>D>R [IFDReference 2150 https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=5>as>49.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11662&file=5 doi:null] -10.14469/hpc/10386>C>11398>C>11656>C>11663> [IFDReference 2153 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11663>as>10.14469_hpc_11663.xml url:null doi:https://doi.org/10.14469/hpc/11663] NMR Data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 1H, 13C, HMBC +10.14469/hpc/10386>C>11398>C>11656>C>11663> [IFDReference 2153 https://doi.org/10.14469/hpc/11663>as>null url:null doi:https://doi.org/10.14469/hpc/11663] NMR Data for ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer (49), 1H, 13C, HMBC 10.14469/hpc/10386>C>11398>C>11656>C>11663>D>R [IFDReference 2156 https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=3>as>49-hmbc.jdx url:https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=3 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11663>D>R [IFDReference 2155 https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=2>as>49-hmbc.mnova url:https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=2 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11663>D>R [IFDReference 2157 https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=4>as>49-hmbc.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=4 doi:null] @@ -1822,26 +1822,26 @@ 10.14469/hpc/10386>C>11398>C>11656>C>11663>D>R [IFDReference 2159 https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=6>as>49.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=6 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11663>D>R [IFDReference 2160 https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=7>as>49.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=7 doi:null] 10.14469/hpc/10386>C>11398>C>11656>C>11663>D>R [IFDReference 2158 https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=5>as>49.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11663&file=5 doi:null] -10.14469/hpc/10386>C>11398>C>11655> [IFDReference 2161 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11655>as>10.14469_hpc_11655.xml url:null doi:https://doi.org/10.14469/hpc/11655] IR Data for Compound 49. +10.14469/hpc/10386>C>11398>C>11655> [IFDReference 2161 https://doi.org/10.14469/hpc/11655>as>null url:null doi:https://doi.org/10.14469/hpc/11655] IR Data for Compound 49. 10.14469/hpc/10386>C>11398>C>11655>D>R [IFDReference 2165 https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=4>as>49.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=4 doi:null] 10.14469/hpc/10386>C>11398>C>11655>D>R [IFDReference 2166 https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=5>as>49.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=5 doi:null] 10.14469/hpc/10386>C>11398>C>11655>D>R [IFDReference 2164 https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=3>as>49.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=3 doi:null] 10.14469/hpc/10386>C>11398>C>11655>D>R [IFDReference 2163 https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=2>as>TM-VI-146-original_2021-11-10T16-39-21.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=2 doi:null] 10.14469/hpc/10386>C>11398>C>11655>D>R [IFDReference 2162 https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=1>as>TM-VI-146-repeat_2021-11-10T16-42-37.pdf url:https://data.hpc.imperial.ac.uk/resolve/?doi=11655&file=1 doi:null] -10.14469/hpc/10386>C>11398>C>11419> [IFDReference 2167 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/11419>as>10.14469_hpc_11419.xml url:null doi:https://doi.org/10.14469/hpc/11419] Primary crystal structure data for sample Compound 49. ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer +10.14469/hpc/10386>C>11398>C>11419> [IFDReference 2167 https://doi.org/10.14469/hpc/11419>as>null url:null doi:https://doi.org/10.14469/hpc/11419] Primary crystal structure data for sample Compound 49. ((4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zinc polymer 10.14469/hpc/10386>C>11398>C>11419>D>R [IFDReference 2171 https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=4>as>49.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=4 doi:null] 10.14469/hpc/10386>C>11398>C>11419>D>R [IFDReference 2172 https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=5>as>49.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=5 doi:null] 10.14469/hpc/10386>C>11398>C>11419>D>R [IFDReference 2169 https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=2>as>AB2133b.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=2 doi:null] 10.14469/hpc/10386>C>11398>C>11419>D>R [IFDReference 2168 https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=1>as>AB2133b.cif url:https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=1 doi:null] 10.14469/hpc/10386>C>11398>C>11419>D>R [IFDReference 2170 https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=3>as>AB2133b.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=11419&file=3 doi:null] -10.14469/hpc/10386>C>11398>C>11419>D>ccdc.csd.cc2d6qdr> [IFDReference 2173 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.5517/ccdc.csd.cc2d6qdr>as>10.5517_ccdc.csd.cc2d6qdr.xml url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qdr] CCDC 2210994: Experimental Crystal Structure Determination -10.14469/hpc/10386>C>14300> [IFDReference 2174 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/14300>as>10.14469_hpc_14300.xml url:null doi:https://doi.org/10.14469/hpc/14300] IUPAC FAIRSpec Collection with associated IUPAC FAIRSpec Finding Aid and Subject Metadata/Media Type vocabulary +10.14469/hpc/10386>C>11398>C>11419>D>ccdc.csd.cc2d6qdr> [IFDReference 2173 https://doi.org/10.5517/ccdc.csd.cc2d6qdr>as>null url:null doi:https://doi.org/10.5517/ccdc.csd.cc2d6qdr] CCDC 2210994: Experimental Crystal Structure Determination +10.14469/hpc/10386>C>14300> [IFDReference 2174 https://doi.org/10.14469/hpc/14300>as>null url:null doi:https://doi.org/10.14469/hpc/14300] IUPAC FAIRSpec Collection with associated IUPAC FAIRSpec Finding Aid and Subject Metadata/Media Type vocabulary 10.14469/hpc/10386>C>14300>D>R [IFDReference 2178 https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=4>as>Archive.7z url:https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=4 doi:null] 10.14469/hpc/10386>C>14300>D>R [IFDReference 2177 https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=3>as>Archive.tar.gz url:https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=3 doi:null] 10.14469/hpc/10386>C>14300>D>R [IFDReference 2180 https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=7>as>IFD.findingaid.json url:https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=7 doi:null] 10.14469/hpc/10386>C>14300>D>R [IFDReference 2175 https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=1>as>Manifest.xlsx url:https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=1 doi:null] 10.14469/hpc/10386>C>14300>D>R [IFDReference 2179 https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=6>as>findingaid.json url:https://data.hpc.imperial.ac.uk/resolve/?doi=14300&file=6 doi:null] -10.14469/hpc/10386>C>14707> [IFDReference 2181 c:\temp\iupac\crawler\10.14469_hpc_10386\metadata::https://doi.org/10.14469/hpc/14707>as>10.14469_hpc_14707.xml url:null doi:https://doi.org/10.14469/hpc/14707] Compound 43: bis((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)manganese +10.14469/hpc/10386>C>14707> [IFDReference 2181 https://doi.org/10.14469/hpc/14707>as>null url:null doi:https://doi.org/10.14469/hpc/14707] Compound 43: bis((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)manganese 10.14469/hpc/10386>C>14707>D>R [IFDReference 2183 https://data.hpc.imperial.ac.uk/resolve/?doi=14707&file=2>as>43.cdxml url:https://data.hpc.imperial.ac.uk/resolve/?doi=14707&file=2 doi:null] 10.14469/hpc/10386>C>14707>D>R [IFDReference 2182 https://data.hpc.imperial.ac.uk/resolve/?doi=14707&file=1>as>43.mol url:https://data.hpc.imperial.ac.uk/resolve/?doi=14707&file=1 doi:null] 10.14469/hpc/10386>C>14707>D>R [IFDReference 2184 https://data.hpc.imperial.ac.uk/resolve/?doi=14707&file=3>as>43.png url:https://data.hpc.imperial.ac.uk/resolve/?doi=14707&file=3 doi:null] diff --git a/javascript/IFD-search.spt b/javascript/IFD-search.spt new file mode 100644 index 0000000..94b936c --- /dev/null +++ b/javascript/IFD-search.spt @@ -0,0 +1,204 @@ +// macro IUPAC_IFD.spt +// Bob Hanson hansonr@stolaf.edu 11/21/2024 + +function getFindingAid(url) { + var fa = load(url, "JSON")["IFD.findingaid"]; + indexFA(fa); + return fa; +} + +function isByID(fa) { + return fa.collectionSet.byID; +} + +function getCollections(fa) { + var byid = isByID(fa); + var collectionNames = fa.contents.collections.select("(id)"); + var itemsByID = {}; + if (byid) { + for (var i = 1; i <= collectionNames.length; i++) { + itemsByID[collectionNames[i]] = fa.collectionSet.itemsById[i].itemsByID; + } + } else { + for (var i = 1; i <= collectionNames.length; i++) { + itemsByID[collectionNames[i]] = fa.collectionSet.items[i].items; + } + } + return itemsByID; +} + +function indexFA(fa) { + if (fa._indexed) return; + fa._indexed = 1; + fa._collections = getCollections(fa); + indexRepresentations(fa); +} + +function indexRepresentations(fa) { + var byid = isByID(fa); + var collections = getCollections(fa); + indexReps("samples", collections.samples, byid); + indexReps("structures", collections.structures, byid); + indexReps("spectra", collections.spectra, byid); + indexCompounds(collections, byid); +} + +function indexCompounds(collections, byid) { + var list = collections.compounds; + var st = collections.structures; + var sp = collections.spectra; + var stid = if(byid ; "structures" ; 1); + var spid = if(byid ; "spectra" ; 2); + if (byid) { + for (var key in list.keys) { + var cmpd = list[key]; + indexAllAssociation(cmpd.itemsByID, cmpd.id, true, collections); + } + } else { + var strucspec = [ st, sp ]; + for (var j = 1; j <= list; j++) { + indexAllAssociation(list[j].items, j, false, strucspec); + } + } + +} + +function indexAllAssociation(assoc, cindex, byid, collections) { + if (!assoc) return; + if (byid) { + for (var key in assoc.keys) { + indexAllAssocItems(list[key], collections[key], cindex, true); + } + } else { + for (var j = 1; j <= assoc.length; j++) { +pause + indexAllAssocItems(assoc[j], collections[j], cindex, false); + } + } +} + + +function indexAllAssocItems(list, collection, cindex, byid) { + for (var t = 1; t <= list.length; t++) { + var pt = list[t]; + if (!byid) pt = pt + 1; + var item = collection[pt]; + item._cindex = cindex; + if (item.representations) { + for (var i = 1; i <= item.representations.length; i++) { + var r = item.representations[i]; + if (r.data) continue; + r._cindex = cindex; + r.ref._index = r._index; + r.ref._kind = r._kind; + r.ref._rep = r._rep; + r.ref._cindex = cindex; + } + } + } +} + +function indexReps(kind, list, byid) { + if (!list) return; + if (byid) { + for (var item in list) { + indexAllItems(item, kind, item.id); + } + } else { + for (var j = 1; j <= list.length; j++) { + indexAllItems(list[j], kind, j); + } + } +} + +function indexAllItems(item, kind, index) { + item._index = index; + item._kind = kind; + if (item.representations) { + for (var i = 1; i <= item.representations.length; i++) { + var r = item.representations[i]; + if (r.data) continue; + r._index = index; + r._rep = i; + r._kind = kind; + } + } +} + + +function getItem(fa, item) { + if (!item) return; + var c = fa._collections[item._kind]; + if (!c) return null; + return c[item._index]; +} + +function getItemReps(fa, item) { + var ci = getItem(fa, item); + if (!ci) return null; + if (!item._rep) return ci.representations; + return [ci.representations[item._rep]]; +} + +function getItemRepList(fa, items) { + var a = []; + for (var i = 1; i <= items.length; i++) { + if (items[i]) { + a += getItemReps(fa, items[i]); + } + } + return a; +} + +function findStructuresLike(fa, key, val) { + indexFA(fa); + var query = "where _kind='structures' and "+ key + " like '*" + val + "*'"; + var list = fa._repList.select(query); + return getItemRepList(fa, list); +} + +function findSpectraLike(fa, key, val) { + indexFA(fa); + var query = "where _kind='spectra' and "+ key + " like '*" + val + "*'"; + var list = fa._repList.select(query); + return getItemRepList(fa, list); +} + +function findAllItemsLike(fa, key, val) { + indexFA(fa); + var query = "where "+ key + " like '" + val + "'"; + var list = fa._repList.select(query); + return getItemRepList(fa, list); +} + + +fa = getFindingAid("c:/temp/iupac/crawler/10.14469_hpc_10386/IFD.findingaid.json"); + +//ret = findAllItemsLike(fa, "mediaType", "*mol*"); + +//ret = findStructuresLike(fa, "mediaType", "*mol*"); + +//ret = findSpectraLike(fa, "properties.expt_nucl1", "13C"); + + +//print ret.select("(ref)").select("(localName)").format("JSON"); + + +c = getCollections(fa).spectra +print c.select("wherein ref.localName like '*zip'") +//print c.select("wherein ref.localName like '*zip'")[1] + + + +/** + +structures|spectra|compounds] where [fields|properties|attributes].[] [is|is not|like|not like] + [and|or] [fields|properties|attributes].[|like] + ... +[and] +[structures|spectra|compounds] where [fields|properties|attributes].[] [not|] [is|like] + [and|or] [fields|properties|attributes].[] [not|] [is|like] + ... + + + diff --git a/src/main/java/com/integratedgraphics/extractor/DOICrawler.java b/src/main/java/com/integratedgraphics/extractor/DOICrawler.java index dd3745a..36c2bf2 100644 --- a/src/main/java/com/integratedgraphics/extractor/DOICrawler.java +++ b/src/main/java/com/integratedgraphics/extractor/DOICrawler.java @@ -93,7 +93,7 @@ public class DOICrawler extends FindingAidCreator { public interface DOICustomizer { boolean customizeText(String key, String val); - String customizeKey(String key); + String customizeSubjectKey(String key); boolean ignoreURL(String url); } @@ -111,7 +111,7 @@ public interface DOICustomizer { protected final static String DOWNLOAD_TYPES = ";zip;jdx;png;pdf;a2r;jpg;jpeg;cdxml;mol;cif;xls;xlsx;mnova;mnpub;"; public final static String DATACITE_METADATA = "https://data.datacite.org/application/vnd.datacite.datacite+xml/"; - public final static String FAIRSPEC_SCHEME_URI = "http://iupac.org/ifd"; + public final static String IFD_SCHEME_URI = "http://iupac.org/ifd"; public final static String FAIRDATA_SUBJECT_SCHEME = "IFD"; protected static final String DOI_ORG = DOIInfoExtractor.DOI_ORG; @@ -244,7 +244,7 @@ public String getSortKey(String ckey, String dkey) { /** * the current doiRecord during XML parsing */ - private DoiRecord doiRecord; + DoiRecord doiRecord; private int nReps; @@ -393,13 +393,15 @@ protected void processEndElement(String localName) { } private void addSubject(Map attrs, String s) { +// proposed plan: +// // // 21 // - // +// String key = attrs.get("subjectscheme"); if (key == null) { crawler.customizeText("subject", s); @@ -407,12 +409,12 @@ private void addSubject(Map attrs, String s) { switch (key) { case FAIRDATA_SUBJECT_SCHEME: key = attrs.get("valueuri"); - if (key.startsWith(FAIRSPEC_SCHEME_URI)) { + if (key.startsWith(IFD_SCHEME_URI)) { key = key.substring(key.lastIndexOf('/') + 1); } break; default: - key = customizeKey(key); + key = customizeSubectKey(key); break; } if (key.startsWith(FAIRSPEC_DATAOBJECT_FLAG)) { @@ -424,8 +426,8 @@ private void addSubject(Map attrs, String s) { } } - private String customizeKey(String key) { - return (customizer == null ? key : customizer.customizeKey(key)); + private String customizeSubectKey(String key) { + return (customizer == null ? key : customizer.customizeSubjectKey(key)); } @@ -602,7 +604,7 @@ private boolean nextDOI(URL doi) { String url = DOI_ORG + s; if (ignoreURL(url)) return false; - DoiRecord doiRecord = new DoiRecord(thisCompoundID, url, dataDir.toString(), sfile); + DoiRecord doiRecord = new DoiRecord(thisCompoundID, url, null, null); addRecord(doiRecord); if (doi.equals(dataCiteMetadataURL)) { doiRecord.type = DOI_TOP; diff --git a/src/main/java/com/integratedgraphics/extractor/ICLDOICrawler.java b/src/main/java/com/integratedgraphics/extractor/ICLDOICrawler.java index 8d2a3c8..6c70197 100644 --- a/src/main/java/com/integratedgraphics/extractor/ICLDOICrawler.java +++ b/src/main/java/com/integratedgraphics/extractor/ICLDOICrawler.java @@ -61,7 +61,7 @@ public boolean ignoreURL(String url) { * return mapped key or key */ @Override - public String customizeKey(String key) { + public String customizeSubjectKey(String key) { String mappedKey = hackMap.get(key); return (mappedKey == null ? key : mappedKey); } @@ -82,8 +82,12 @@ public boolean customizeText(String key, String val) { if (val.length() < 3) return false; switch (key) { + case "References": + crawler.addError("!RelatedIdentifier.References value ignored: " + val + " in " + crawler.doiRecord); + break; case "subject": switch (val) { + // from ccdc DOI case "Crystal Structure": crawler.setDataObjectType("xrd"); break; @@ -104,9 +108,8 @@ public boolean customizeText(String key, String val) { if (val.startsWith("Compound ")) { String id = crawler.newCompound(val); crawler.addAttr(FAIRSPEC_COMPOUND_ID, id); - crawler.addAttr(IFDConst.IFD_PROPERTY_LABEL, val); } - return true; + break; } } return false;