Information card for entry 7113367

Structure parameters

• Formula: C28 H27 Br N2 O5
• Calculated formula: C28 H27 Br N2 O5
• SMILES: Brc1ccc([C@@H]([C@]2(C(=O)N(c3c2cccc3)C(=O)OC(C)(C)C)Cc2ccccc2)CN(=O)=O)cc1
• Title of publication: Novel tartrate-derived guanidine-catalyzed highly enantio- and diastereoselective Michael addition of 3-substituted oxindoles to nitroolefins
• Authors of publication: Liwei Zou; Xiaoze Bao; Yuanyuan Ma; Yuming Song; Jingping Qu; Baomin Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5760
• a: 12.3183 ± 0.0011 Å
• b: 12.3183 ± 0.0011 Å
• c: 36.329 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5512.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No