Information card for entry 4109755

Structure parameters

• Formula: C25 H33 N O2 Si
• Calculated formula: C25 H33 N O2 Si
• SMILES: C(=O)([C@@H]1[C@@H](/C(=C\CC)[Si](C(C)C)(C(C)C)c2ccccc2)O1)Nc1ccccc1.C(=O)([C@H]1[C@H](/C(=C\CC)[Si](C(C)C)(C(C)C)c2ccccc2)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: 14.094 ± 0.002 Å
• b: 18.133 ± 0.003 Å
• c: 10.0075 ± 0.0014 Å
• α: 90°
• β: 108.656 ± 0.003°
• γ: 90°
• Cell volume: 2423.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2004
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.664
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No