Information card for entry 4109756

Structure parameters

• Formula: C30 H35 N O2 Si
• Calculated formula: C30 H35 N O2 Si
• SMILES: C(=O)([C@@H]1[C@@H](/C(=C\CCC)[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)Nc1ccccc1.C(=O)([C@H]1[C@H](/C(=C\CCC)[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)Nc1ccccc1
• Title of publication: Aluminum-Catalyzed Enantio- and Diastereoselective Carbonyl Addition of Propargylsilanes. A New Approach to Enantioenriched Vinyl Epoxides
• Authors of publication: David A. Evans; Yimon Aye
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9606 - 9607
• a: 9.5087 ± 0.0017 Å
• b: 21.076 ± 0.004 Å
• c: 26.118 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5234.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No