Information card for entry 1553874

Structure parameters

• Formula: C21 H24 N2 O6 S
• Calculated formula: C21 H24 N2 O6 S
• SMILES: S(=O)(=O)(N1[C@](C(=O)OC)([C@@](NC1)(C(=O)OC)c1ccccc1)C)c1ccc(cc1)C
• Title of publication: Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters
• Authors of publication: Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 36
• a: 7.9925 ± 0.0003 Å
• b: 13.9906 ± 0.0004 Å
• c: 19.0487 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2130.02 ± 0.12 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No