Information card for entry 4023760

Structure parameters

• Formula: C29 H37 N O Si
• Calculated formula: C29 H37 N O Si
• SMILES: [Si]1(N([C@@H]([C@H](O1)c1ccccc1)c1ccccc1)c1ccc(cc1)C)(C(C)(C)C)C(C)(C)C.[Si]1(N([C@H]([C@@H](O1)c1ccccc1)c1ccccc1)c1ccc(cc1)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Dearomatization Reactions of Aryl-Substituted Silaaziridines
• Authors of publication: Zulimar Nevárez; K. A. Woerpel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 8113 - 8115
• a: 18.628 ± 0.005 Å
• b: 8.689 ± 0.002 Å
• c: 16.855 ± 0.004 Å
• α: 90°
• β: 108.092 ± 0.004°
• γ: 90°
• Cell volume: 2593.3 ± 1.1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No