Information card for entry 1552177

Structure parameters

• Chemical name: (S)-N-(2-(dimethyl(phenyl)silyl)-2-phenylethyl)-4-methylbenzenesulfonamide
• Formula: C23 H27 N O2 S Si
• Calculated formula: C23 H27 N O2 S Si
• SMILES: S(=O)(=O)(NC[C@@H]([Si](c1ccccc1)(C)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Catalyst-controlled regiodivergent ring-opening C(sp3)–Si bond-forming reactions of 2-arylaziridines with silylborane enabled by synergistic palladium/copper dual catalysis
• Authors of publication: Takeda, Youhei; Shibuta, Kaoru; Aoki, Shohei; Tohnai, Norimitsu; Minakata, Satoshi
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 9.63219 ± 0.00011 Å
• b: 9.47828 ± 0.00009 Å
• c: 12.7213 ± 0.00014 Å
• α: 90°
• β: 106.27 ± 0.0012°
• γ: 90°
• Cell volume: 1114.9 ± 0.02 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0355
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No