Information card for entry 8101556

Structure parameters

• Formula: C18 H16 O6
• Calculated formula: C18 H15 O6
• SMILES: c1(cc(=O)c2cc(O)ccc2o1)c1c(OC)c(OC)c(OC)cc1
• Title of publication: Crystal structure of 6-hydroxy-2',3',4'-trimethoxyflavone, C~18~H~16~O~6~
• Authors of publication: Habsaoui, Amar; Gaydou, Emile M.; Wallet, Jean-Claude
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 465 - 466
• a: 14.684 ± 0.002 Å
• b: 13.251 ± 0.002 Å
• c: 7.982 ± 0.001 Å
• α: 90°
• β: 92.87 ± 0.01°
• γ: 90°
• Cell volume: 1551.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.082
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No