Information card for entry 2013327

Structure parameters

• Chemical name: meso-Bis(phenylsulfinyl)methane
• Formula: C13 H12 O2 S2
• Calculated formula: C13 H12 O2 S2
• SMILES: S(=O)(c1ccccc1)CS(=O)c1ccccc1
• Title of publication: <i>meso</i>-Bis(phenylsulfinyl)methane
• Authors of publication: S. Kannan; Anwar Usman; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o268 - o270
• a: 8.254 ± 0.0009 Å
• b: 8.9037 ± 0.001 Å
• c: 9.069 ± 0.001 Å
• α: 106.875 ± 0.002°
• β: 98.782 ± 0.002°
• γ: 90.897 ± 0.002°
• Cell volume: 629.05 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes