Information card for entry 2001638

Structure parameters

• Formula: C4 Cl4 O2 S
• Calculated formula: C4 Cl4 O2 S
• SMILES: ClC1=C(Cl)C(=C(Cl)S1(=O)=O)Cl
• Title of publication: Structure of α-tetrachlorothiophene 1,1-dioxide at 150 K
• Authors of publication: Douglas, G.; Frampton, C. S.; Muir, K. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1197 - 1199
• a: 18.204 ± 0.004 Å
• b: 7.855 ± 0.001 Å
• c: 11.751 ± 0.002 Å
• α: 90°
• β: 91.77 ± 0.02°
• γ: 90°
• Cell volume: 1679.5 ± 0.5 ų
• Cell temperature: 150 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 significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.08
• Goodness-of-fit parameter for significantly intense reflections: 3.3
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No