Information card for entry 7246659

Structure parameters

• Chemical name: 1
• Formula: C20 H14 F5 N O3
• Calculated formula: C20 H14 F5 N O3
• Title of publication: Catalyst-free intramolecular radical cyclization cascades initiated by the direct homolysis of Csp3–Br under visible light
• Authors of publication: Huang, Panyi; Yan, Zhiyang; Ling, Jiaxin; Li, Peixuan; Wang, Jiayang; Li, Jianjun; Sun, Bin; Jin, Can
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 3989 - 3994
• a: 17.1352 ± 0.0004 Å
• b: 7.89497 ± 0.00016 Å
• c: 14.2824 ± 0.0004 Å
• α: 90°
• β: 110.302 ± 0.003°
• γ: 90°
• Cell volume: 1812.12 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0739
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No