Information card for entry 2234792

Structure parameters

• Chemical name: (<i>R</i>)-<i>N</i>-(Biphenyl-4-yl)-<i>tert</i>-butanesulfinamide
• Formula: C16 H19 N O S
• Calculated formula: C16 H19 N O S
• SMILES: S(=O)(Nc1ccc(cc1)c1ccccc1)C(C)(C)C
• Title of publication: (<i>R</i>)-<i>N</i>-(Biphenyl-4-yl)-<i>tert</i>-butanesulfinamide
• Authors of publication: Zhang, Binbin; Wang, Yan; Sun, Xiaofei; Wang, Wenguo; Zeng, Qingle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1389
• a: 9.3588 ± 0.0005 Å
• b: 11.9452 ± 0.0005 Å
• c: 13.3136 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1488.36 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.06
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes