Information card for entry 1543429

Structure parameters

• Formula: C30 H28 N2 O2 S
• Calculated formula: C30 H28 N2 O2 S
• SMILES: [C@]1(c2ccccc2N([C@]1(/C=N/S(=O)(=O)c1ccc(cc1)C)c1ccccc1)C)(C)c1ccccc1.[C@@]1(c2ccccc2N([C@@]1(/C=N/S(=O)(=O)c1ccc(cc1)C)c1ccccc1)C)(C)c1ccccc1
• 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: 8.5621 ± 0.0003 Å
• b: 12.1149 ± 0.0004 Å
• c: 25.0836 ± 0.001 Å
• α: 90°
• β: 99.7094 ± 0.0014°
• γ: 90°
• Cell volume: 2564.63 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No