Information card for entry 2202529

Structure parameters

• Chemical name: 4b,4c,9a,9c-Tetrachloro-4b,4c,9b,9c-tetrahydroindeno[1',2':3,4] cyclobuta[1,2-a]indene-5,10-dione
• Formula: C18 H8 Cl4 O2
• Calculated formula: C18 H8 Cl4 O2
• SMILES: O=C1c2ccccc2[C@]2([C@]1(Cl)[C@@]1([C@@]2(Cl)C(=O)c2c1cccc2)Cl)Cl.O=C1c2ccccc2[C@@]2([C@@]1(Cl)[C@]1([C@]2(Cl)C(=O)c2c1cccc2)Cl)Cl
• Title of publication: 4b,4c,9b,9c-Tetrahydro-4b,4c,9b,9c-tetrachlorocyclobuta[1,2-<i>a</i>:3,4-<i>a</i>']diindene-5,10-dione
• Authors of publication: Shu-Sheng Zhang; Min Zhang; Jian-Hua Xu; Xue-Mei Li; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1930 - o1931
• a: 15.8948 ± 0.001 Å
• b: 8.7186 ± 0.0005 Å
• c: 13.5633 ± 0.0009 Å
• α: 90°
• β: 120.563 ± 0.001°
• γ: 90°
• Cell volume: 1618.47 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes