Information card for entry 2224391

Structure parameters

• Common name: 5,7-Dihydroxy-3,6,8-trimethoxyflavone
• Chemical name: 5,7-dihydroxy-3,6,8-trimethoxy-4<i>H</i>-chromen-4-one
• Formula: C18 H16 O7
• Calculated formula: C18 H16 O7
• SMILES: COc1c(O)c(OC)c2c(c1O)c(=O)c(c(o2)c1ccccc1)OC
• Title of publication: 5,7-Dihydroxy-3,6,8-trimethoxyflavone
• Authors of publication: Xiong, Hui-Ping; Wu, Zhi-Jun; Chen, Fa-Tang; Chen, Wan-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3276 - o3277
• a: 10.147 ± 0.004 Å
• b: 11.493 ± 0.004 Å
• c: 14.134 ± 0.005 Å
• α: 74.233 ± 0.005°
• β: 86.461 ± 0.005°
• γ: 86.845 ± 0.005°
• Cell volume: 1582 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 1 kPa
• 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: 0.0961
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes