Information card for entry 1567559

Structure parameters

• Formula: C18 H11 F3 N2
• Calculated formula: C18 H11 F3 N2
• Title of publication: A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines
• Authors of publication: Huang, Mengjun; Ma, Jiawei; Zou, Zhenlei; Li, Heyin; Liu, Jiyang; Kong, Lingyu; Pan, Yi; Zhang, Weigang; Liang, Yong; Wang, Yi
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 11.3732 ± 0.0004 Å
• b: 7.0194 ± 0.0003 Å
• c: 17.8991 ± 0.0006 Å
• α: 90°
• β: 100.777 ± 0.001°
• γ: 90°
• Cell volume: 1403.74 ± 0.09 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No