Information card for entry 1543428

Structure parameters

• Formula: C38 H36 N2 O3 S
• Calculated formula: C38 H36 N2 O3 S
• SMILES: [C@H]1(c2ccc(cc2)C)N2c3ccc(cc3[C@@]([C@@]2(CN1S(=O)(=O)c1ccc(cc1)C)c1ccccc1)(C)c1ccccc1)OC.[C@@H]1(c2ccc(cc2)C)N2c3ccc(cc3[C@]([C@]2(CN1S(=O)(=O)c1ccc(cc1)C)c1ccccc1)(C)c1ccccc1)OC
• Title of publication: Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines
• Authors of publication: Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5934
• a: 6.8957 ± 0.0003 Å
• b: 18.2571 ± 0.0008 Å
• c: 26.4728 ± 0.0013 Å
• α: 90°
• β: 91.3638 ± 0.0019°
• γ: 90°
• Cell volume: 3331.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No