Information card for entry 4106200

Structure parameters

• Common name: C22H29BrN2O2
• Formula: C22 H29 Br N2 O2
• Calculated formula: C22 H29 Br N2 O2
• SMILES: Brc1ccc(cc1)C[C@H](C(=N\N1C(=O)O[C@@H]2C[C@H]3CC[C@@]12C3(C)C)/CC)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: 7.1862 ± 0.0003 Å
• b: 11.0021 ± 0.0005 Å
• c: 27.7885 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2197.05 ± 0.17 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: 0.1181
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No