Information card for entry 1502521

Structure parameters

• Formula: C21 H24 N2 O4
• Calculated formula: C21 H24 N2 O4
• SMILES: c1ccccc1[C@H]([C@H](C(=O)c1ccccc1)[C@@H](CN(=O)=O)NC(=O)C)CC
• 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: 19.502 ± 0.009 Å
• b: 19.502 ± 0.009 Å
• c: 13.648 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4495 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No