Information card for entry 2206735

Structure parameters

• Common name: flavone
• Chemical name: 5-hydroxy-7,8,2'-trimethoxyflavone
• Formula: C18 H16 O6
• Calculated formula: C18 H16 O6
• SMILES: o1c(cc(=O)c2c1c(OC)c(OC)cc2O)c1c(OC)cccc1
• Title of publication: 5-Hydroxy-7,8,2'-trimethoxyflavone
• Authors of publication: Krishnaiah, M.; Ravi Kumar, R.; Jagadeesh Kumar, N.; Gunasekar, D.; Jayaprakasam, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2862 - o2864
• a: 7.602 ± 0.002 Å
• b: 8.7563 ± 0.001 Å
• c: 11.642 ± 0.003 Å
• α: 85.252 ± 0.016°
• β: 84.838 ± 0.012°
• γ: 78.469 ± 0.014°
• Cell volume: 754.6 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes