Information card for entry 2228672

Structure parameters

• Chemical name: 7,7'-Dihydroxy-4,4'-dimethyl-3,4-dihydro-2<i>H</i>,2'<i>H</i>- 4,6'-bichromene-2,2'-dione
• Formula: C20 H16 O6
• Calculated formula: C20 H16 O6
• SMILES: o1c(=O)cc(c2c1cc(O)c(c2)C1(c2c(OC(=O)C1)cc(O)cc2)C)C
• Title of publication: 7,7'-Dihydroxy-4,4'-dimethyl-3,4-dihydro-2<i>H</i>,2'<i>H</i>-4,6'-bichromene-2,2'-dione
• Authors of publication: Pereira Silva, P. S.; Parveen, Mehtab; Ali, Akhtar; Malla, Ali Mohammed; Ramos Silva, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o201
• a: 9.0432 ± 0.0002 Å
• b: 11.5111 ± 0.0002 Å
• c: 17.2212 ± 0.0004 Å
• α: 90°
• β: 110.87 ± 0.001°
• γ: 90°
• Cell volume: 1675.06 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0544
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes