Information card for entry 2011126

Structure parameters

• Chemical name: 1,4-bis(4-chlorophenylsulfonyl)-2,5-dimethylbenzene
• Formula: C20 H16 Cl2 O4 S2
• Calculated formula: C20 H16 Cl2 O4 S2
• SMILES: Cc1cc(c(cc1S(=O)(=O)c1ccc(cc1)Cl)C)S(=O)(=O)c1ccc(cc1)Cl
• Title of publication: Hydrogen-bonded molecular ladders in 1,4-bis(4-chlorophenylsulfonyl)-2,5-dimethylbenzene
• Authors of publication: Wardell, James L; Low, John N; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 862 - 864
• a: 5.4859 ± 0.0002 Å
• b: 6.9595 ± 0.0004 Å
• c: 12.5211 ± 0.0007 Å
• α: 98.6245 ± 0.0017°
• β: 93.561 ± 0.004°
• γ: 92.174 ± 0.003°
• Cell volume: 471.19 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes