Information card for entry 2000269

Structure parameters

• Formula: C14 H20 N2 O6
• Calculated formula: C14 H20 N2 O6
• SMILES: CCOC(=O)/C=C/C(=O)NCCNC(=O)/C=C/C(=O)OCC
• Title of publication: Structure of the 4-oxo-2-butenoic acid alkyl ester moiety. III. Structures of diethyl <i>N</i>,<i>N</i>'-(ethylenediamino)bis(4-oxo-2-butenoate) and propyl 4-oxo-4-ureido-2-butenoate
• Authors of publication: Główka, M. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 1680 - 1683
• a: 11.348 ± 0.001 Å
• b: 4.854 ± 0.001 Å
• c: 14.629 ± 0.001 Å
• α: 90°
• β: 99.87 ± 0.01°
• γ: 90°
• Cell volume: 793.89 ± 0.19 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No