Information card for entry 4106201

Structure parameters

• Common name: C23H29BrN2O2
• Formula: C23 H29 Br N2 O2
• Calculated formula: C23 H29 Br N2 O2
• SMILES: Brc1ccc(cc1)C[C@@H](CC=C)C(=N\N1C(=O)O[C@@H]2C[C@H]3CC[C@@]12C3(C)C)/C
• Title of publication: Regioselective Asymmetric α,α-Bisalkylation of Ketones via Complex-Induced Syn-Deprotonation of Chiral N-Amino Cyclic Carbamate Hydrazones
• Authors of publication: Sarah E. Wengryniuk; Daniel Lim; Don M. Coltart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8714 - 8720
• a: 6.735 ± 0.001 Å
• b: 10.415 ± 0.002 Å
• c: 31.635 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2219 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No