Information card for entry 2223877

Structure parameters

• Common name: 4',5,7-trimethoxyflavone methanol solvate hydrate
• Chemical name: 5,7-Dimethoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one methanol solvate monohydrate
• Formula: C19 H22 O7
• Calculated formula: C19 H22 O7
• SMILES: c12cc(cc(c1c(=O)cc(c1ccc(cc1)OC)o2)OC)OC.O.CO
• Title of publication: 5,7-Dimethoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one methanol solvate monohydrate
• Authors of publication: Aree, Thammarat; Sabphon, Chalisa; Sawasdee, Pattara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2693
• a: 9.5333 ± 0.0002 Å
• b: 9.8861 ± 0.0003 Å
• c: 10.5378 ± 0.0003 Å
• α: 86.671 ± 0.001°
• β: 66.101 ± 0.001°
• γ: 78.488 ± 0.001°
• Cell volume: 889.45 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1764
• 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