Information card for entry 7132964

Structure parameters

• Formula: C19 H19 F3 N2
• Calculated formula: C19 H19 F3 N2
• SMILES: FC(F)(F)C1(N=C(c2ccc(cc2)C)CC1)Nc1ccc(cc1)C
• Title of publication: Visible light-promoted [3+2] cyclization reaction of vinyl azides with perfluoroalkyl-substituted-imidoyl sulfoxonium ylides.
• Authors of publication: Yang, Ming; Meng, Yu-Xuan; Mehfooz, Haroon; Zhao, Yu-Long
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 41
• Pages of publication: 5407 - 5410
• a: 10.34 ± 0.003 Å
• b: 15.24 ± 0.005 Å
• c: 11.008 ± 0.003 Å
• α: 90°
• β: 94.938 ± 0.017°
• γ: 90°
• Cell volume: 1728.2 ± 0.9 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No