Information card for entry 2004804

Structure parameters

• Formula: C15 H10 O4
• Calculated formula: C15 H10 O4
• SMILES: Oc1ccccc1c1oc2ccccc2c(=O)c1O
• Title of publication: 2',6'-Dihydroxyflavone and a New Polymorph of 2'-Hydroxyflavonol
• Authors of publication: Molins, E.; Miravitlles, C.; Wallet, J.-C.; Gaydou, E. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 925 - 929
• a: 18.285 ± 0.002 Å
• b: 7.726 ± 0.001 Å
• c: 16.927 ± 0.002 Å
• α: 90°
• β: 102.15 ± 0.01°
• γ: 90°
• Cell volume: 2337.7 ± 0.5 ų
• Cell temperature: 293 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 significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.129
• Goodness-of-fit parameter for significantly intense reflections: 0.786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No