Information card for entry 2003742

Structure parameters

• Formula: C13 H12 O4 S2
• Calculated formula: C13 H12 O4 S2
• SMILES: O=S(=O)(c1ccccc1)CS(=O)(=O)c1ccccc1
• Title of publication: Bis(phenylsulfonyl)methane, (PhSO~2~)~2~CH~2~, and Dibromobis(phenylsulfonyl)methane, (PhSO~2~)~2~CBr~2~
• Authors of publication: Glidewell, C.; Lightfoot, P.; Patterson, I. L. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1648 - 1651
• a: 5.824 ± 0.006 Å
• b: 23.038 ± 0.003 Å
• c: 10.589 ± 0.005 Å
• α: 90°
• β: 103.59 ± 0.05°
• γ: 90°
• Cell volume: 1381 ± 1.6 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.95
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No