Information card for entry 1502118

Structure parameters

• Formula: C22 H25 N O S Si
• Calculated formula: C22 H25 N O S Si
• SMILES: [Si]([C@H](NS(=O)c1ccc(cc1)C)c1ccccc1)(C)(C)c1ccccc1
• Title of publication: Activation of the Si-B linkage: copper-catalyzed addition of nucleophilic silicon to imines.
• Authors of publication: Vyas, Devendra J.; Fröhlich, Roland; Oestreich, Martin
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2094 - 2097
• a: 11.1147 ± 0.0006 Å
• b: 6.7725 ± 0.0003 Å
• c: 14.8896 ± 0.0011 Å
• α: 90°
• β: 108.29 ± 0.004°
• γ: 90°
• Cell volume: 1064.18 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No