Information card for entry 2223804

Structure parameters

• Chemical name: (1<i>R</i>,1'<i>S</i>)-1,1'-dihydroxy-1,1'-biisobenzofuran- 3,3'(1<i>H</i>,1'<i>H</i>)-dione
• Formula: C16 H10 O6
• Calculated formula: C16 H10 O6
• SMILES: O=C1O[C@](c2c1cccc2)(O)[C@]1(O)OC(=O)c2c1cccc2
• Title of publication: (1<i>R</i>,1'<i>S</i>)-1,1'-Dihydroxy-1,1'-biisobenzofuran-3,3'(1<i>H</i>,1'<i>H</i>)-dione
• Authors of publication: Jian, Fang-Fang; Zhao, Shan-Shan; Guo, Huan-Mei; Li, Yu-Feng; Zhao, Pu-Su
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2961
• a: 8.226 ± 0.0016 Å
• b: 7.969 ± 0.0016 Å
• c: 10.859 ± 0.004 Å
• α: 90°
• β: 114.03 ± 0.02°
• γ: 90°
• Cell volume: 650.1 ± 0.3 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: 0.1595
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes