Information card for entry 8101476

Structure parameters

• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: O1c2c(C(=O)C=C1c1c(OC)cccc1)cc(O)cc2
• Title of publication: Crystal structure of 6-hydroxy-2'-methoxyflavone, C16H12O4
• Authors of publication: Shoja, M.; Bisso, S.; Kabban, R.; Athanasopoulos, D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 233 - 234
• a: 14.87 ± 0.004 Å
• b: 3.876 ± 0.004 Å
• c: 25.251 ± 0.004 Å
• α: 90°
• β: 121.48 ± 0.03°
• γ: 90°
• Cell volume: 1241.1 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.085
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No