Information card for entry 2243627

Structure parameters

• Common name: 5-Hydroxy-3,6,7,8-tetramethoxyflavone
• Chemical name: 5-Hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4<i>H</i>-chromen-4-one
• Formula: C19 H18 O7
• Calculated formula: C19 H18 O7
• SMILES: O1c2c(C(=O)C(OC)=C1c1ccccc1)c(O)c(OC)c(OC)c2OC
• Title of publication: Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone
• Authors of publication: Aisa, Haji Akber; Izotova, Lidiya; Karimov, Abdurashid; Botirov, Erkin; Mamadrahimov, Azimjon; Ibragimov, Bahtiyar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1748 - 1751
• a: 5.0789 ± 0.0004 Å
• b: 8.0801 ± 0.0006 Å
• c: 20.8682 ± 0.0019 Å
• α: 92.481 ± 0.007°
• β: 91.984 ± 0.007°
• γ: 94.253 ± 0.006°
• Cell volume: 852.62 ± 0.12 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: 0.0778
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes