Information card for entry 4110265

Structure parameters

• Formula: C22 H20 Br N O
• Calculated formula: C22 H20 Br N O
• Title of publication: Enantioselective Construction of Quaternary Stereogenic Carbons by the Lewis Base Catalyzed Additions of Silyl Ketene Imines to Aldehydes
• Authors of publication: Scott E. Denmark; Tyler W. Wilson; Matthew T. Burk; John R. Heemstra
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14864 - 14865
• a: 5.955 ± 0.003 Å
• b: 11.936 ± 0.007 Å
• c: 27.882 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1981.8 ± 1.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No