Information card for entry 8101247

Structure parameters

• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: o1c2c(O)c(OC)ccc2c(=O)cc1c1ccccc1
• Title of publication: Crystal structure of 8-hydroxy-7-methoxyflavone, C~16~H~12~O~4~
• Authors of publication: Shoja, M.; Krikava, A
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 2
• Pages of publication: 271 - 272
• a: 10.615 ± 0.005 Å
• b: 14.257 ± 0.002 Å
• c: 16.509 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.4 ± 1.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.097
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No