Information card for entry 2232137

Structure parameters

• Common name: 5-hydroxy-3,4',6,7-tetramethoxyflavone
• Chemical name: 5-Hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one
• Formula: C19 H18 O7
• Calculated formula: C19 H18 O7
• SMILES: COc1ccc(cc1)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)OC
• Title of publication: 5-Hydroxy-3,4',6,7-tetramethoxyflavone
• Authors of publication: Geng, Hua-Wei; Wang, Guo-Cai; Li, Guo-Qiang; Jiang, Ren-Wang; Li, Yao-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2733
• a: 16.6029 ± 0.0003 Å
• b: 7.40255 ± 0.00012 Å
• c: 14.8666 ± 0.0003 Å
• α: 90°
• β: 110.487 ± 0.002°
• γ: 90°
• Cell volume: 1711.6 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes