Information card for entry 2239000

Structure parameters

• Chemical name: (<i>R</i>)-<i>N</i>-[(<i>R</i>)-2,2-Dichloro-1-phenyl-2-(phenylsulfonyl)ethyl]-2-methylpropane-2-sulfinamide
• Formula: C18 H21 Cl2 N O3 S2
• Calculated formula: C18 H21 Cl2 N O3 S2
• SMILES: S(N[C@@H](C(S(=O)(=O)c1ccccc1)(Cl)Cl)c1ccccc1)(=O)C(C)(C)C
• Title of publication: (<i>R</i>)-<i>N</i>-[(<i>R</i>)-2,2-Dichloro-1-phenyl-2-(phenylsulfonyl)ethyl]-2-methylpropane-2-sulfinamide
• Authors of publication: Huang, Haiji; Li, Ya; Chu, Jingming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o119
• a: 7.924 ± 0.002 Å
• b: 14.772 ± 0.004 Å
• c: 18.151 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2124.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes