Information card for entry 7134027

Structure parameters

• Formula: C18 H13 F3 N2 O
• Calculated formula: C18 H13 F3 N2 O
• Title of publication: Visible light-induced cascade annulation of sulfoxonium ylides with azides for the synthesis of 2-trifluoromethyl indoles.
• Authors of publication: Cui, Jia-Huan; Chen, Qian-Yu; Zhang, Jun; He, Yan; Li, Xingguang; Liu, Pei-Nian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 3
• Pages of publication: 488 - 491
• a: 16.2399 ± 0.0012 Å
• b: 47.8 ± 0.004 Å
• c: 8.1006 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6288.2 ± 0.9 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No