Information card for entry 7134948

Structure parameters

• Formula: C25 H19 F6 N O2
• Calculated formula: C25 H19 F6 N O2
• Title of publication: Photocatalytic cyclization reaction of 2-vinylarylamines with CF₃SO₂Na and arylaldehydes to access 3-(2,2,2-trifluoroethyl)-3<i>H</i>-indoles.
• Authors of publication: Song, Mengda; Leng, Yuting; Xu, Zhiwei; Wu, Yusheng; Wu, Yangjie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 80
• Pages of publication: 15626 - 15629
• a: 12.2122 ± 0.0005 Å
• b: 13.7141 ± 0.0004 Å
• c: 14.0849 ± 0.0006 Å
• α: 90°
• β: 112.262 ± 0.004°
• γ: 90°
• Cell volume: 2183.1 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.053
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No