Information card for entry 4106192

Structure parameters

• Formula: C30 H27 Br N2 O4
• Calculated formula: C30 H27 Br N2 O4
• SMILES: Brc1ccc(N[C@@H](c2ccccc2)[C@](NC(=O)OCc2ccccc2)(c2ccccc2)C(=O)OC)cc1
• Title of publication: Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines
• Authors of publication: Jun Jiang; Hua-Dong Xu; Jian-Bei Xi; Bai-Yan Ren; Feng-Ping Lv; Xin Guo; Li-Qin Jiang; Zhi-Yong Zhang; Wen-Hao Hu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8428 - 8431
• a: 8.0469 ± 0.0008 Å
• b: 16.2859 ± 0.0016 Å
• c: 10.5311 ± 0.001 Å
• α: 90°
• β: 106.797 ± 0.003°
• γ: 90°
• Cell volume: 1321.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No