Information card for entry 2010203

Structure parameters

• Chemical name: Ethyl (E)-2-benzoyl-3-dimethylaminopropenoate
• Formula: C14 H17 N O3
• Calculated formula: C14 H17 N O3
• SMILES: CCOC(=O)C(=C/N(C)C)/C(=O)c1ccccc1
• Title of publication: Three substituted 3-aminopropenoates
• Authors of publication: Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1842 - 1846
• a: 12.1732 ± 0.0009 Å
• b: 6.8173 ± 0.0006 Å
• c: 16.737 ± 0.001 Å
• α: 90°
• β: 93.457 ± 0.006°
• γ: 90°
• Cell volume: 1386.45 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• 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
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for all reflections: 0.988
• Goodness-of-fit parameter for significantly intense reflections: 0.957
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No