Information card for entry 7158505

Structure parameters

• Formula: C27 H30 N2 O2 S
• Calculated formula: C27 H30 N2 O2 S
• SMILES: S(=O)(=O)(N[C@@H](c1[nH]c2ccccc2c1C)c1cccc(c1)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Enantioselective synthesis of 2-indolyl methanamine derivatives through disulfonimide-catalyzed Friedel-Crafts C2-alkylation of 3-substituted indoles with imines.
• Authors of publication: Sun, Peng; Jia, Zi-Hao; Tang, Li; Zheng, Hao; Li, Zhang-Rui; Chen, Ling-Yan; Li, Ya
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1916 - 1925
• a: 9.4321 ± 0.0003 Å
• b: 14.6668 ± 0.0005 Å
• c: 17.7584 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2456.67 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No