Information card for entry 2004805

Structure parameters

• Formula: C15 H10 O4
• Calculated formula: C15 H10 O4
• SMILES: Oc1cccc(c1c1cc(=O)c2c(o1)cccc2)O
• 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: 6.033 ± 0.001 Å
• b: 8.209 ± 0.003 Å
• c: 23.091 ± 0.005 Å
• α: 90°
• β: 93.55 ± 0.01°
• γ: 90°
• Cell volume: 1141.4 ± 0.5 ų
• Cell temperature: 294 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: 0.04
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No