Information card for entry 1540595

Structure parameters

• Chemical name: (S)-4-(4-methoxyphenyl)-4-phenyl-1,2,3-oxathiazolidine 2,2-dioxide
• Formula: C15 H15 N O4 S
• Calculated formula: C15 H15 N O4 S
• SMILES: [C@]1(c2ccc(cc2)OC)(c2ccccc2)COS(=O)(=O)N1
• Title of publication: Enantioselective Rh(I)-Catalyzed Addition of Arylboronic Acids to Cyclic Ketimines.
• Authors of publication: Kong, Jongrock; McLaughlin, Mark; Belyk, Kevin; Mondschein, Ryan
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5520 - 5523
• a: 8.1024 ± 0.0011 Å
• b: 11.3536 ± 0.0015 Å
• c: 14.828 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1364 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.022
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No