Information card for entry 2239805

Structure parameters

• Chemical name: Bis(methylsulfonyl)methane
• Formula: C3 H8 O4 S2
• Calculated formula: C3 H8 O4 S2
• SMILES: S(=O)(=O)(C)CS(=O)(=O)C
• Title of publication: Bis(methylsulfonyl)methane
• Authors of publication: Awad, Riad; Mallah, Eyad; Abu Dayyih, Wael; Sweidan, Kamal; Steimann, Manfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o877
• a: 11.0496 ± 0.0018 Å
• b: 5.793 ± 0.003 Å
• c: 11.0496 ± 0.0006 Å
• α: 90°
• β: 96.77 ± 0.03°
• γ: 90°
• Cell volume: 702.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes