Information card for entry 2209554

Structure parameters

• Chemical name: 3,7-Dichloro-3,7-diphenylbenzo[1,2-c;4,5-c']difuran-1,5(3H,7H)-dione cyclohexane 0.25-solvate
• Formula: C23.5 H15 Cl4 O8
• Calculated formula: C23.5 H15 Cl2 O4
• SMILES: C1CCCCC1.O=C1O[C@@](c2c1cc1c(c2)C(=O)O[C@@]1(Cl)c1ccccc1)(Cl)c1ccccc1.O=C1O[C@](c2c1cc1c(c2)C(=O)O[C@]1(Cl)c1ccccc1)(Cl)c1ccccc1
• Title of publication: 3,7-Dichloro-3,7-diphenylbenzo[1,2-<i>c</i>;4,5-<i>c</i>']difuran-1,5(3<i>H</i>,7<i>H</i>)-dione cyclohexane 0.25-solvate
• Authors of publication: Shan Liu; Jing-Ning Liu; Guang-Liang Song; Ya-Ming Wu; Hong-Jun Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3099 - o3100
• a: 10.817 ± 0.002 Å
• b: 13.679 ± 0.003 Å
• c: 29.37 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4345.8 ± 1.5 ų
• Cell temperature: 315 ± 2 K
• Ambient diffraction temperature: 313 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1731
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes