Information card for entry 2229178

Structure parameters

• Common name: 4'-methoxyflavonol
• Chemical name: 3-Hydroxy-2-(4-methoxyphenyl)-4<i>H</i>-chromen-4-one
• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: o1c(c(c(=O)c2ccccc12)O)c1ccc(cc1)OC
• Title of publication: 3-Hydroxy-2-(4-methoxyphenyl)-4<i>H</i>-chromen-4-one
• Authors of publication: Wera, Michał; Serdiuk, Ilia E.; Roshal, Alexander D.; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o440
• a: 11.24 ± 0.0005 Å
• b: 4.986 ± 0.0002 Å
• c: 21.9907 ± 0.0009 Å
• α: 90°
• β: 95.116 ± 0.004°
• γ: 90°
• Cell volume: 1227.51 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes