Information card for entry 4025202

Structure parameters

• Formula: C13 H26 N O S Si
• Calculated formula: C13 H26 N O S Si
• SMILES: S(=O)(N[C@@H](C#C[Si](C)(C)C)C(C)C)C(C)(C)C
• Title of publication: Highly Diastereoselective Addition of Alkynylmagnesium Chlorides to N-tert-Butanesulfinyl Aldimines: A Practical and General Access to Chiral α-Branched Amines
• Authors of publication: Bai-Ling Chen; Bing Wang; Guo-Qiang Lin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 941 - 944
• a: 6.109 ± 0.0005 Å
• b: 15.4595 ± 0.0013 Å
• c: 18.0045 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1700.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No