Information card for entry 2203077

Structure parameters

• Formula: C20 H20 O8
• Calculated formula: C20 H20 O8
• SMILES: o1c(c(OC)c(=O)c2c(O)cc(OC)cc12)c1cc(OC)c(OC)c(OC)c1
• Title of publication: 5-Hydroxy-3,3',4',5',7-pentamethoxyflavone (combretol)
• Authors of publication: Dachriyanus; Rizal Fahmi; Sargent, Melvyn V.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o86 - o88
• a: 13.827 ± 0.006 Å
• b: 29.9 ± 0.014 Å
• c: 4.244 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1754.6 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes