Information card for entry 1576318

Structure parameters

• Formula: C21 H12 F5 N O
• Calculated formula: C21 H12 F5 N O
• Title of publication: Enantioselective copper-catalysed defluorinative alkylation of polyfluoroarenes with alkenes and 1,3-dienes
• Authors of publication: Shi, Dazhen; Zhu, Lihan; Jiang, Ying; Wang, Simin; Yin, Jianjun; Yuan, Xiuping; Ma, Shucheng; Li, Xiaoyu; Sun, Jiaqiong; Zhang, Qian; Xiong, Tao
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 5.7489 ± 0.0009 Å
• b: 15.981 ± 0.003 Å
• c: 19.362 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1778.8 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No