Information card for entry 1554919

Structure parameters

• Formula: C40 H31 Cl2 F4 N2 O3
• Calculated formula: C40 H32 Cl2 F3 N3 O3
• SMILES: [C@@]12([C@]3([C@H]([C@H](C(F)(F)F)N2)c2cccc4ccccc24)CN(C(=O)C3=O)Cc2ccccc2)c2c(cccc2)N(C1=O)Cc1ccccc1.C(Cl)Cl
• Title of publication: Diastereodivergent construction of bispiro[oxindole-bi-pyrrolidine]s with four consecutive stereocenters via asymmetric [3 + 2] cycloaddition of 2,3-dioxopyrrolidines using identical catalysts
• Authors of publication: Zhao, Xiaoyun; Xiong, Jiale; An, Junkai; Yu, Jicong; Zhu, Liping; Feng, Xing; Jiang, Xianxing
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 1989
• a: 11.9726 ± 0.0002 Å
• b: 16.0021 ± 0.0003 Å
• c: 18.2529 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3497.01 ± 0.12 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No