Information card for entry 4104592

Structure parameters

• Common name: 4-Bromo-Lactam
• Formula: C17 H14 Br Cl N O2
• Calculated formula: C17 H16 Br Cl2 N O2
• SMILES: Brc1ccc([C@@H]2[C@](CC(=O)N2)(c2ccccc2)O)cc1.C(Cl)Cl.Brc1ccc([C@H]2[C@@](CC(=O)N2)(c2ccccc2)O)cc1.C(Cl)Cl
• 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: 7.4375 ± 0.0005 Å
• b: 8.867 ± 0.0006 Å
• c: 14.4876 ± 0.001 Å
• α: 93.607 ± 0.001°
• β: 97.431 ± 0.001°
• γ: 113.795 ± 0.001°
• Cell volume: 859.87 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No