Information card for entry 2205440

Structure parameters

• Common name: Myricetin
• Chemical name: 5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,7-dimethoxychromen-4-one
• Formula: C19 H18 O8
• Calculated formula: C19 H18 O8
• SMILES: o1c(c2cc(OC)c(OC)c(O)c2)c(OC)c(=O)c2c1cc(cc2O)OC
• Title of publication: 5,3'-Dihydroxy-3,7,4',5'-tetramethoxyflavone
• Authors of publication: S. Etti; G. Shanmugam; M. N. Ponnuswamy; K. Balakrishna; Saradha Vasanth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o846 - o848
• a: 30.958 ± 0.007 Å
• b: 7.9544 ± 0.0019 Å
• c: 14.263 ± 0.006 Å
• α: 90°
• β: 95.53 ± 0.03°
• γ: 90°
• Cell volume: 3496 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1381
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes