Information card for entry 4106727

Structure parameters

• Formula: C17 H14 Br N O3
• Calculated formula: C17 H14 Br N O3
• SMILES: Brc1ccc([C@H](C(=O)N2C(=O)OCC2)c2ccccc2)cc1
• Title of publication: Enantioselective α-Arylation of N-Acyloxazolidinones with Copper(II)-bisoxazoline Catalysts and Diaryliodonium Salts
• Authors of publication: Aurélien Bigot; Alice E. Williamson; Matthew J. Gaunt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13778 - 13781
• a: 5.8888 ± 0.0001 Å
• b: 8.9545 ± 0.0001 Å
• c: 28.5863 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1507.39 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No