Information card for entry 7224942

Structure parameters

• Common name: 5-Methyl-7-Methoxyflavone
• Chemical name: Methoxyflavone
• Formula: C17 H14 O3
• Calculated formula: C17 H14 O3
• SMILES: O1C=C(C(=O)c2c(cc(OC)cc12)C)c1ccccc1
• Title of publication: Concomitant polymorphs of Methoxyflavone (5-Methyl-7-Methoxyflavone)
• Authors of publication: Gong, Ningbo; Hu, Kun; Jin, Guimin; Du, Guanhua; Lv, Yang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.61 ± 0.003 Å
• b: 7.764 ± 0.0016 Å
• c: 28.134 ± 0.006 Å
• α: 90°
• β: 104.02 ± 0.03°
• γ: 90°
• Cell volume: 2672.4 ± 1.1 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: 0.0606
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No