Information card for entry 2237743

Structure parameters

• Common name: 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone
• Chemical name: 5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4<i>H</i>-chromen-4-one
• Formula: C18 H16 O8
• Calculated formula: C18 H16 O8
• SMILES: o1c(cc(=O)c2c(O)c(OC)c(O)cc12)c1cc(O)c(OC)c(OC)c1
• Title of publication: 5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4<i>H</i>-chromen-4-one
• Authors of publication: Adizov, Shahobiddin M.; Mukhamathanova, Rimma F.; Turgunov, Kambarali K.; Sham'yanov, Ildar D.; Tashkhodjaev, Bakhodir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o578
• a: 11.5837 ± 0.0006 Å
• b: 4.4677 ± 0.0003 Å
• c: 15.5521 ± 0.0008 Å
• α: 90°
• β: 103.31 ± 0.006°
• γ: 90°
• Cell volume: 783.24 ± 0.08 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes