Information card for entry 2223092

Structure parameters

• Common name: 5-Hydroxy-7,2',6'-trimethoxyflavone
• Chemical name: 2-(2,6-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4<i>H</i>-1-benzopyran-4-one
• Formula: C18 H16 O6
• Calculated formula: C18 H16 O6
• SMILES: o1c(cc(=O)c2c(O)cc(OC)cc12)c1c(OC)cccc1OC
• Title of publication: 2-(2,6-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4<i>H</i>-1-benzopyran-4-one
• Authors of publication: Ravi Kumar, R.; Krishnaiah, M.; Jagadesh Kumar, N.; Gunasekhar Reddy, D.; Puranik, V. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2262
• a: 11.003 ± 0.007 Å
• b: 11.015 ± 0.007 Å
• c: 13.734 ± 0.009 Å
• α: 90°
• β: 113.159 ± 0.01°
• γ: 90°
• Cell volume: 1530.4 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes