Information card for entry 2223687

Structure parameters

• Common name: 3,4',5,7-tetramethoxyflavone
• Chemical name: 3,5,7-Trimethoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one
• Formula: C19 H18 O6
• Calculated formula: C19 H18 O6
• SMILES: o1c2cc(OC)cc(OC)c2c(=O)c(OC)c1c1ccc(OC)cc1
• Title of publication: 3,5,7-Trimethoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one
• Authors of publication: Aree, Thammarat; Sawasdee, Pattara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2706
• a: 8.7854 ± 0.0003 Å
• b: 9.2743 ± 0.0004 Å
• c: 10.695 ± 0.0004 Å
• α: 70.749 ± 0.001°
• β: 81.448 ± 0.001°
• γ: 83.078 ± 0.001°
• Cell volume: 811.15 ± 0.05 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: 0.0627
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes