Information card for entry 4029295

Structure parameters

• Formula: C17 H23 N O2 S Si
• Calculated formula: C17 H23 N O2 S Si
• SMILES: [C@H](c1ccccc1)(NS(=O)(=O)c1ccc(cc1)C)[Si](C)(C)C
• Title of publication: Enantioselective Synthesis of α-Silylamines by Meerwein-Ponndorf-Verley-Type Reduction of α-Silylimines by a Chiral Lithium Amide.
• Authors of publication: Kondo, Yasuhiro; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 8
• Pages of publication: 3601 - 3609
• a: 10.545 ± 0.005 Å
• b: 9.535 ± 0.004 Å
• c: 10.077 ± 0.004 Å
• α: 90°
• β: 115.62 ± 0.03°
• γ: 90°
• Cell volume: 913.6 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0478
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No