Information card for entry 1502522

Structure parameters

• Formula: C26 H26 Br N O4
• Calculated formula: C26 H26 Br N O4
• SMILES: c1cc(ccc1[C@@H]([C@H]([C@@H](c1ccc(cc1)OC)CC)C(=O)c1ccccc1)CN(=O)=O)Br
• Title of publication: Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.
• Authors of publication: Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5596 - 5599
• a: 10.73 ± 0.006 Å
• b: 9.321 ± 0.006 Å
• c: 12.255 ± 0.007 Å
• α: 90°
• β: 100.86 ± 0.005°
• γ: 90°
• Cell volume: 1203.7 ± 1.2 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: 0.1022
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No