Information card for entry 2207190

Structure parameters

• Common name: 5-hydroxy-7,4'-dimethoxyflavone
• Chemical name: 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
• Formula: C17 H14 O5
• Calculated formula: C17 H14 O5
• SMILES: o1c2cc(OC)cc(O)c2c(=O)cc1c1ccc(OC)cc1
• Title of publication: 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one
• Authors of publication: Jeannie Bee Jan Teh; Hoong-Kun Fun; Abdul Razak Ibrahim; Suchada Chantrapromma; Nawong Boonnak; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3715 - o3717
• a: 16.9406 ± 0.0004 Å
• b: 3.8619 ± 0.0001 Å
• c: 21.7968 ± 0.0004 Å
• α: 90°
• β: 106.52 ± 0.01°
• γ: 90°
• Cell volume: 1367.15 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes