Information card for entry 4027104

Structure parameters

• Formula: C46 H63 N O5 Si
• Calculated formula: C46 H63 N O5 Si
• SMILES: [Si]1(OC2=C(C[C@@H]([C@H]([C@@H]2[C@H]1C)C)C(=O)N1C(=O)OC([C@@H]1C(C)C)(c1ccccc1)c1ccccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C.O(CC)CC
• Title of publication: Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes
• Authors of publication: Christian C. Ventocilla; K. A. Woerpel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3277 - 3283
• a: 8.5749 ± 0.0006 Å
• b: 11.5138 ± 0.0008 Å
• c: 43.232 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4268.3 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No