Crystal data for Compound 28. Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium

DOI: 10.14469/hpc/11363 Metadata

Created: 2022-10-10 10:12

Last modified: 2024-06-25 09:18

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Primary crystal data for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium (28)

Files

FilenameSizeTypeDescription
AB2218.cif 4MB chemical/x-cif CIF processed data
AB2218.7z.001 900MB application/octet-stream Part 1 of 7zip archive of primary crystal structure data
AB2218.7z.002 900MB application/octet-stream Part 2 of 7zip archive of primary crystal structure data
AB2218.7z.003 400MB application/octet-stream Part 3 of 7zip archive of primary crystal structure data
AB2218.zip.001 900MB application/octet-stream Part 1 of zip archive of primary crystal structure data
AB2218.zip.002 900MB application/octet-stream Part 2 of zip archive of primary crystal structure data
AB2218.zip.003 440MB application/octet-stream Part 3 of zip archive of primary crystal structure data
28.cdxml 24KB chemical/x-cdxml Chemdraw connection table
28.cdxml 22KB chemical/x-cdxml Chemdraw connection table v2
28.png 59KB image/png Image representation

Member of collection / collaboration

DOIDescription
10.14469/hpc/11362 Compound 28: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)yttrium

Associated DOIs

Current dataset ...DOIDescription
References 10.5517/ccdc.csd.cc2d6q2f CSD Entry: VIPKAK
isReferencedBy 10.5517/ccdc.csd.cc2d6q2f CSD Entry: VIPKAK

Subject Keywords

KeywordValue
IFD.XRAY Crystal structure
inchi InChI=1S/3C12H12N2O3.2H2O.Y/c3*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;;;/h3*3-8,15H,2H2,1H3;2*1H2;/q;;;;;+3/p-3
inchikey RRXSKXZPUZQUFG-UHFFFAOYSA-K
SMILES [OH2][Y]123(O=C(OCC)C(C=N4)=C(O2)N4C5=CC=CC=C5)(O=C(OCC)C(C=N6)=C(O3)N6C7=CC=CC=C7)([OH2])O=C(OCC)C(C=N8)=C(O1)N8C9=CC=CC=C9

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