Information card for entry 1554795

Structure parameters

• Formula: C36 H23 Br F3 N2 O3
• Calculated formula: C36 H23 Br F3 N2 O3
• SMILES: Brc1cc2[C@@]3([C@@]4(C(=O)c5ccccc5O4)[C@@H]([C@@H](C(F)(F)F)N3)c3cccc4c3cccc4)C(=O)N(c2cc1)Cc1ccccc1
• Title of publication: Highly efficient enantioselective synthesis of bispiro[benzofuran-oxindole-pyrrolidine]s through organocatalytic cycloaddition
• Authors of publication: Li, Boyu; Gao, Fengyun; Feng, Xing; Sun, Mengmeng; Guo, Yifei; Wen, Dongwa; Deng, Yabo; Huang, Jinqi; Wang, Kairong; Yan, Wenjin
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 1567
• a: 11.6434 ± 0.0005 Å
• b: 14.186 ± 0.0005 Å
• c: 17.6525 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2915.72 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0321
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No