Information card for entry 4103116

Structure parameters

• Formula: C21 H20 Cl N O2 S
• Calculated formula: C21 H20 Cl N O2 S
• SMILES: S(=O)(=O)(N[C@](c1ccc(Cl)cc1)(c1ccccc1)C)c1ccc(cc1)C
• Title of publication: Rhodium-Catalyzed Asymmetric Arylation of N-Tosyl Ketimines
• Authors of publication: Ryo Shintani; Momotaro Takeda; Takaoki Tsuji; Tamio Hayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13168 - 13169
• a: 9.899 ± 0.003 Å
• b: 13.034 ± 0.005 Å
• c: 15.353 ± 0.007 Å
• α: 90°
• β: 101.97 ± 0.015°
• γ: 90°
• Cell volume: 1937.8 ± 1.3 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 ± 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 significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No