Information card for entry 2230304

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: O(c1ccc(cc1)C(=O)/C=C/c1c(OC)cc(OC)cc1OC)C
• Title of publication: (<i>E</i>)-1-(4-Methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Cai, Yuepiao; Wang, Zhankun; Li, Zhe; Zhang, Meiling; Wu, Jianzhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1432
• a: 7.3339 ± 0.0006 Å
• b: 16.826 ± 0.0014 Å
• c: 26.677 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3291.9 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes