Information card for entry 7123976

Structure parameters

• Formula: C18 H11 F6 N O
• Calculated formula: C18 H11 F6 N O
• Title of publication: Photoinduced Synthesis of Fluorinated Dibenz[b,e]azepines via Radical Triggered Cyclization
• Authors of publication: Zhong, Jian-Ji; Qi, Xu-Kuan; Zhang, Hong; Pan, Zi-Tong; Liang, Rong-Bin; Zhu, Can-Ming; Li, Jing-Hong; Tong, Qing-Xiao; Gao, Xue-Wang; Wu, Li-Zhu
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.8518 ± 0.0002 Å
• b: 15.2537 ± 0.0005 Å
• c: 26.0789 ± 0.0007 Å
• α: 90°
• β: 92.227 ± 0.003°
• γ: 90°
• Cell volume: 3121.08 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No