Information card for entry 4104593

Structure parameters

• Common name: N-bezoyl protected lactam
• Formula: C23 H17 Br2 N O3
• Calculated formula: C23 H17 Br2 N O3
• SMILES: O=C1N(C(=O)c2ccc(Br)cc2)[C@@H]([C@@](O)(c2ccccc2)C1)c1ccc(Br)cc1
• Title of publication: Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents
• Authors of publication: Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8805 - 8814
• a: 14.0078 ± 0.0003 Å
• b: 5.5406 ± 0.0001 Å
• c: 14.8626 ± 0.0003 Å
• α: 90°
• β: 117.008 ± 0.001°
• γ: 90°
• Cell volume: 1027.71 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No