Information card for entry 2210241

Structure parameters

• Chemical name: 5,12-Dihydroxy-2,6,7,13-tetramethoxyflavone
• Formula: C19 H18 O8
• Calculated formula: C19 H18 O8
• SMILES: o1c(c(OC)c(=O)c2c(O)c(OC)c(OC)cc12)c1cc(O)c(OC)cc1
• Title of publication: 5,12-Dihydroxy-2,6,7,13-tetramethoxyflavone
• Authors of publication: Zhao-Ling Meng; Yuan-Ying Qi; Ren-Min Liu; Ai-Ling Sun; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3831 - o3832
• a: 15.528 ± 0.004 Å
• b: 12.446 ± 0.003 Å
• c: 17.672 ± 0.004 Å
• α: 90°
• β: 92.565 ± 0.004°
• γ: 90°
• Cell volume: 3411.9 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes