Information card for entry 4023759

Structure parameters

• Formula: C26 H39 N O Si
• Calculated formula: C26 H39 N O Si
• SMILES: [Si]1(O[C@@H]([C@H]2C=C(C=C[C@]32N1[C@@H]3C(C)C)C)c1ccccc1)(C(C)(C)C)C(C)(C)C.[Si]1(O[C@H]([C@@H]2C=C(C=C[C@@]32N1[C@H]3C(C)C)C)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: 33.044 ± 0.003 Å
• b: 8.9073 ± 0.0007 Å
• c: 18.9986 ± 0.0016 Å
• α: 90°
• β: 117.277 ± 0.001°
• γ: 90°
• Cell volume: 4970 ± 0.7 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No