Information card for entry 1554918

Structure parameters

• Formula: C35 H27 Br F3 N3 O3
• Calculated formula: C35 H27 Br F3 N3 O3
• SMILES: Brc1ccc([C@H]2[C@@H](N[C@@]3(C(=O)N(c4ccccc34)Cc3ccccc3)[C@@]32C(=O)C(=O)N(C3)Cc2ccccc2)C(F)(F)F)cc1
• 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: 8.4795 ± 0.0001 Å
• b: 18.0358 ± 0.0001 Å
• c: 21.5437 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3294.78 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No