Information card for entry 2234116

Structure parameters

• Common name: 2-(Phenylsulfonyl)-2-(diphenylthiophosphinoyl)propane
• Chemical name: Diphenyl[2-(phenylsulfonyl)propan-2-yl]-λ^5^-phosphanethione
• Formula: C21 H21 O2 P S2
• Calculated formula: C21 H21 O2 P S2
• SMILES: S(=O)(=O)(C(P(=S)(c1ccccc1)c1ccccc1)(C)C)c1ccccc1
• Title of publication: Diphenyl[2-(phenylsulfonyl)propan-2-yl]-λ^5^-phosphanethione
• Authors of publication: Gessner, Viktoria H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1045
• a: 8.2137 ± 0.0007 Å
• b: 14.3714 ± 0.0013 Å
• c: 16.6728 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1968.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes