Crystal data for compound 74.

DOI: 10.14469/hpc/12402 Metadata

Created: 2023-03-20 11:28

Last modified: 2024-11-22 09:39

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Full crystal image data for Compound 74.

Files

FilenameSizeTypeDescription
LBTML2.cif 566KB chemical/x-cif CIF file
LBTML2.7z.001 900MB application/octet-stream Primary image data as g7zip archive
LBTML2.7z.002 655MB application/octet-stream Primary image data as g7zip archive
LBTML2.zip.001 900MB application/octet-stream Primary image data as zip archive
LBTML2.zip.002 667MB application/octet-stream Primary image data as zip archive
74.cdxml 13KB chemical/x-cdxml Chemdraw connection table
74.png 154KB image/png Image representation

Member of collection / collaboration

DOIDescription
10.14469/hpc/11748 Compound 74: Bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)dioxouranium

Associated DOIs

Current dataset ...DOIDescription
References 10.5517/ccdc.csd.cc2fj9s2 CSD Entry: VIPFAF
isReferencedBy 10.5517/ccdc.csd.cc2fj9s2 CSD Entry: VIPFAF

Subject Keywords

KeywordValue
IFD.XRAY Crystal structure
inchi InChI=1S/2C12H12N2O3.2O.U/c2*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;;;/h2*3-8,15H,2H2,1H3;;;/q;;;;+2/p-2
inchikey OIDLIYWHLSQPCJ-UHFFFAOYSA-L
SMILES O=[U+2]=O.[O-]C1=C(C(OCC)=O)C=NN1C2=CC=CC=C2.[O-]C3=C(C(OCC)=O)C=NN3C4=CC=CC=C4

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