Information card for entry 8101484

Structure parameters

• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: c1(=O)c2c(oc(c1O)c1ccccc1OC)cccc2
• Title of publication: Crystal structure of 3-hydroxy-2'-methoxyflavone, C16H12O4
• Authors of publication: Shoja, M.; Sullivan, P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 237 - 238
• a: 7.463 ± 0.002 Å
• b: 10.12 ± 0.003 Å
• c: 10.186 ± 0.001 Å
• α: 62.15 ± 0.02°
• β: 71.39 ± 0.02°
• γ: 73.91 ± 0.02°
• Cell volume: 637.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.047
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No