Information card for entry 7109375

Structure parameters

• Formula: C14 H12 Cl N O3 S
• Calculated formula: C14 H12 Cl N O3 S
• SMILES: [C@]1(NS(=O)(=O)OC1)(c1ccc(cc1)Cl)c1ccccc1
• Title of publication: Asymmetric synthesis of gem-diaryl substituted cyclic sulfamidates and sulfamides by rhodium-catalyzed arylation of cyclic ketimines
• Authors of publication: Takahiro Nishimura; Yusuke Ebe; Hiroto Fujimoto; Tamio Hayashi
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5504
• a: 9.4413 ± 0.0002 Å
• b: 15.6524 ± 0.0003 Å
• c: 9.8374 ± 0.0002 Å
• α: 90°
• β: 114.578 ± 0.0014°
• γ: 90°
• Cell volume: 1322.05 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No