Information card for entry 2210255

Structure parameters

• Common name: 5,3'-Dihydroxy-3,6,7,4'-tetramethoxyflavone
• Chemical name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
• Formula: C19 H18 O8
• Calculated formula: C19 H18 O8
• SMILES: o1c(c2cc(O)c(OC)cc2)c(OC)c(=O)c2c(O)c(OC)c(OC)cc12
• Title of publication: 5,3'-Dihydroxy-3,6,7,4'-tetramethoxyflavone
• Authors of publication: Asker, Erol; Akin, Sebahat; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4159 - o4161
• a: 15.5353 ± 0.0005 Å
• b: 12.4493 ± 0.0003 Å
• c: 17.6655 ± 0.0003 Å
• α: 90°
• β: 92.424 ± 0.002°
• γ: 90°
• Cell volume: 3413.51 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes