Information card for entry 2206666

Structure parameters

• Common name: 5-hydroxy-3,7-dimethoxyflavone
• Chemical name: 5-Hydroxy-3,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
• Formula: C17 H14 O5
• Calculated formula: C17 H14 O5
• SMILES: o1c(c2ccccc2)c(OC)c(=O)c2c(O)cc(OC)cc12
• Title of publication: 5-Hydroxy-3,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one
• Authors of publication: Hoong-Kun Fun; Abdul Razak Ibrahim; Nawong Boonnak; Surat Laphookhieo; Suchada Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3086 - o3088
• a: 20.0802 ± 0.0003 Å
• b: 7.136 ± 0.0001 Å
• c: 20.7415 ± 0.0003 Å
• α: 90°
• β: 114.399 ± 0.001°
• γ: 90°
• Cell volume: 2706.66 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes