Information card for entry 2238233

Structure parameters

• Common name: 5,6-Dihydroxy-7,8-dimethoxyflavone
• Chemical name: 5,6-dihydroxy-7,8-dimethoxy-2-phenylchromen-4-one
• Formula: C17 H14 O6
• Calculated formula: C17 H14 O6
• SMILES: COc1c(OC)c(O)c(c2c1oc(cc2=O)c1ccccc1)O
• Title of publication: 5,6-Dihydroxy-7,8-dimethoxyflavone
• Authors of publication: Jing, Lin-Lin; Fan, Xiao-Fei; Fan, Peng-Cheng; He, Lei; Jia, Zheng-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1096
• a: 7.953 ± 0.006 Å
• b: 8.548 ± 0.006 Å
• c: 10.951 ± 0.008 Å
• α: 96.602 ± 0.008°
• β: 92.282 ± 0.008°
• γ: 100.279 ± 0.007°
• Cell volume: 726.3 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1273
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes