Information card for entry 7160785

Structure parameters

• Formula: C19 H15 F3 N2
• Calculated formula: C19 H15 F3 N2
• Title of publication: Photo-induced radical trifluoromethylation/dearomatization of 3-substituted indoles.
• Authors of publication: Lv, Yuyu; Deng, Zhoubin; Zhu, Zhijun; Hai, Xiaopeng; Wang, Junjiao; Wang, Ke-Hu; Huang, Danfeng; Hu, Yulai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 9658 - 9667
• a: 15.597 ± 0.0001 Å
• b: 15.597 ± 0.0001 Å
• c: 26.0546 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6338.21 ± 0.09 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No