Information card for entry 2217269

Structure parameters

• Chemical name: 5,7-Dihydroxy-6,4'-dimethoxyflavone
• Formula: C17 H14 O6
• Calculated formula: C17 H14 O6
• SMILES: COc1ccc(cc1)c1cc(=O)c2c(cc(c(c2O)OC)O)o1
• Title of publication: 5,7-Dihydroxy-6,4'-dimethoxyflavone
• Authors of publication: Ming-Yue Mou; Ke Pi; Qi-Long Zhang; Yun-Qian Zhang; Qian-Jun Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o71 - o71
• a: 6.9115 ± 0.0011 Å
• b: 7.2583 ± 0.0012 Å
• c: 14.649 ± 0.002 Å
• α: 82.739 ± 0.006°
• β: 88.424 ± 0.006°
• γ: 76.907 ± 0.006°
• Cell volume: 710.03 ± 0.19 ų
• Cell temperature: 293 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes