Information card for entry 2004894

Structure parameters

• Common name: ethyl p-methoxycinnamate
• Formula: C12 H14 O3
• Calculated formula: C12 H14 O3
• SMILES: c1(OC)ccc(cc1)/C=C/C(=O)OCC
• Title of publication: Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in Vietnam
• Authors of publication: Luger, P.; Weber, M.; Dung, N. X.; Tuyet, N. T. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1255 - 1257
• a: 21.64 ± 0.002 Å
• b: 7.866 ± 0.001 Å
• c: 6.72 ± 0.01 Å
• α: 90 ± 0.01°
• β: 96.16 ± 0.01°
• γ: 90 ± 0.009°
• Cell volume: 1137.3 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for all reflections: 0.497
• Goodness-of-fit parameter for significantly intense reflections: 0.418
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKαradiation,Nifiltered
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No