Information card for entry 2224209

Structure parameters

• Chemical name: 1-Phenyl-1-[(1-phenylethyl)sulfonylmethylsulfonyl]ethane
• Formula: C17 H20 O4 S2
• Calculated formula: C17 H20 O4 S2
• SMILES: S(=O)(=O)([C@@H](c1ccccc1)C)CS(=O)(=O)[C@H](C)c1ccccc1.S(=O)(=O)([C@H](c1ccccc1)C)CS(=O)(=O)[C@@H](C)c1ccccc1
• Title of publication: 1-Phenyl-1-[(1-phenylethyl)sulfonylmethylsulfonyl]ethane
• Authors of publication: Zhang, Bing-zhu; Chen, Xiang-min; Kang, Huai-ping; Sun, Feng-xia; Wang, Yan-ji; Liu, Jing-tao; Wang, De-bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3198
• a: 16.662 ± 0.003 Å
• b: 19.27 ± 0.004 Å
• c: 22.094 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7094 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes