Information card for entry 2001424

Structure parameters

• Formula: C13 H13 N O4
• Calculated formula: C13 H13 N O4
• SMILES: CCOC(=O)/C(=C/c1ccc(c(c1)O)OC)C#N
• Title of publication: Structure of ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)propenoate
• Authors of publication: He, Y.; Shi, J.; Su, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1432 - 1434
• a: 9.755 ± 0.005 Å
• b: 12.849 ± 0.009 Å
• c: 10.42 ± 0.008 Å
• α: 90°
• β: 104.16 ± 0.04°
• γ: 90°
• Cell volume: 1266.4 ± 1.5 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No