Information card for entry 7134506

Structure parameters

• Formula: C20 H14 F3 N3 O
• Calculated formula: C20 H14 F3 N3 O
• Title of publication: Synthesis of 2-CF3-indoles or 2-CF3-indolin-3-ones via anaerobic or aerobic reactions of N-phenylpyridin-2-amines with TFISYs
• Authors of publication: Liang, Miaomiao; Xu, Yuanshuang; Yang, Xueying; Zhang, Xinying; Fan, Xuesen
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 48
• Pages of publication: 8735 - 8738
• a: 17.0044 ± 0.0006 Å
• b: 10.7501 ± 0.0003 Å
• c: 18.938 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3461.85 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No