Information card for entry 2227680

Structure parameters

• Chemical name: (<i>E</i>)-3-(2,4-Dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: O(C)c1ccc(c(OC)c1)/C=C/C(=O)c1ccc(OC)c(OC)c1
• Title of publication: (<i>E</i>)-3-(2,4-Dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Wu, Xiaokai; Cai, Xiaoqing; Zheng, Xianan; Zhang, Zhennan; Ye, Xiaoqin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3015
• a: 9.031 ± 0.005 Å
• b: 7.962 ± 0.005 Å
• c: 23.631 ± 0.014 Å
• α: 90°
• β: 92.827 ± 0.01°
• γ: 90°
• Cell volume: 1697.1 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes