Information card for entry 2234075

Structure parameters

• Chemical name: Ethyl (<i>E</i>)-3-hydroxy-2-[(4-methoxystyryl)carbamoyl]but-2-enoate
• Formula: C16 H19 N O5
• Calculated formula: C16 H19 N O5
• SMILES: N(C=Cc1ccc(OC)cc1)C(=O)/C(=C(\O)C)C(=O)OCC
• Title of publication: Ethyl (<i>E</i>)-3-hydroxy-2-[(4-methoxystyryl)carbamoyl]but-2-enoate
• Authors of publication: Zhao, Sheng-Yin; Huang, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o798
• a: 11.1878 ± 0.0015 Å
• b: 10.5349 ± 0.0014 Å
• c: 13.5586 ± 0.0018 Å
• α: 90°
• β: 101.424 ± 0.002°
• γ: 90°
• Cell volume: 1566.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes