Information card for entry 4023758

Structure parameters

• Formula: C29 H37 N O Si
• Calculated formula: C29 H37 N O Si
• SMILES: [Si]1(O[C@@H]([C@H]2C(=CN1c1ccc(cc1)C)C=CC=C2)c1ccccc1)(C(C)(C)C)C(C)(C)C.[Si]1(O[C@H]([C@@H]2C(=CN1c1ccc(cc1)C)C=CC=C2)c1ccccc1)(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: 9.8266 ± 0.0012 Å
• b: 10.9444 ± 0.0014 Å
• c: 12.8119 ± 0.0016 Å
• α: 69.316 ± 0.002°
• β: 87.5 ± 0.002°
• γ: 84.791 ± 0.002°
• Cell volume: 1283.6 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No