Information card for entry 2227970

Structure parameters

• Chemical name: 4-Hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxo-2<i>H</i>-chromen-3-yl)(4-oxo- 4<i>H</i>-chromen-3-yl)methyl]-6,7-dimethyl-2<i>H</i>-chromen-2-one
• Formula: C32 H24 O8
• Calculated formula: C32 H24 O8
• SMILES: Cc1cc2c(cc1C)oc(=O)c(c2O)C(c1coc2c(c1=O)cccc2)c1c(=O)oc2c(c1O)cc(c(c2)C)C
• Title of publication: 4-Hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxo-2<i>H</i>-chromen-3-yl)(4-oxo-4<i>H</i>-chromen-3-yl)methyl]-6,7-dimethyl-2<i>H</i>-chromen-2-one
• Authors of publication: Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2859 - o2860
• a: 13.6418 ± 0.0012 Å
• b: 10.5878 ± 0.0009 Å
• c: 21.2316 ± 0.0015 Å
• α: 90°
• β: 123.48 ± 0.004°
• γ: 90°
• Cell volume: 2557.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes