Information card for entry 4037187

Structure parameters

• Formula: C28 H22 F3 N3 O2 S
• Calculated formula: C28 H22 F3 N3 O2 S
• SMILES: S(=O)(=O)(Nc1n(c2ccccc2c1c1cc(ccc1c1ncccc1)C(F)(F)F)C)c1ccc(cc1)C
• Title of publication: Preparation of 3-Aryl-2-aminoindoles via Rhodium-Catalyzed Coupling Reaction between 2-Arylpyridines and 3-Diazoindolin-2-imines.
• Authors of publication: Li, Zhenmin; Zhou, Xiaorong; Lu, Ping; Wang, Yanguang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 9433 - 9437
• a: 8.6878 ± 0.0005 Å
• b: 11.5528 ± 0.0007 Å
• c: 13.1521 ± 0.001 Å
• α: 90.495 ± 0.006°
• β: 109.012 ± 0.006°
• γ: 99.53 ± 0.005°
• Cell volume: 1228.05 ± 0.15 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No