Information card for entry 4134971

Structure parameters

• Formula: C14 H12 Br F9 O2 S
• Calculated formula: C14 H12 Br F9 O2 S
• Title of publication: Enantioselective Three-Component Fluoroalkylarylation of Unactivated Olefins through Nickel-Catalyzed Cross-Electrophile Coupling.
• Authors of publication: Tu, Hai-Yong; Wang, Fang; Huo, Liping; Li, Yuanbo; Zhu, Shengqing; Zhao, Xian; Li, Huan; Qing, Feng-Ling; Chu, Lingling
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 21
• Pages of publication: 9604 - 9611
• a: 5.7339 ± 0.0006 Å
• b: 46.854 ± 0.005 Å
• c: 6.9754 ± 0.0007 Å
• α: 90°
• β: 96.287 ± 0.006°
• γ: 90°
• Cell volume: 1862.7 ± 0.3 ų
• Cell temperature: 298.08 K
• Ambient diffraction temperature: 298.08 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No