Information card for entry 7134947

Structure parameters

• Formula: C22 H14 Cl2 F3 N
• Calculated formula: C22 H14 Cl2 F3 N
• 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: 8.8332 ± 0.0003 Å
• b: 10.9154 ± 0.0002 Å
• c: 11.1884 ± 0.0002 Å
• α: 103.17 ± 0.002°
• β: 93.958 ± 0.002°
• γ: 111.325 ± 0.002°
• Cell volume: 964.66 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No