Information card for entry 4107462

Structure parameters

• Common name: hydroxylamine methyl ester
• Formula: C23 H22 Br N O3
• Calculated formula: C23 H22 Br N O3
• SMILES: COC(=O)C[C@@H]([C@H](c1ccc(Br)cc1)N(c1ccccc1)O)c1ccccc1
• Title of publication: Highly Diastereo- and Enantioselective Additions of Homoenolates to Nitrones Catalyzed by N-Heterocyclic Carbenes
• Authors of publication: Eric M. Phillips; Troy E. Reynolds; Karl A. Scheidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2416 - 2417
• a: 9.6263 ± 0.0002 Å
• b: 10.0188 ± 0.0002 Å
• c: 21.2036 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2044.96 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No