Information card for entry 1568454

Structure parameters

• Formula: C25 H28 B F4 N O2
• Calculated formula: C25 H28 B F4 N O2
• Title of publication: Copper-catalyzed defluorinative arylboration of vinylarenes with polyfluoroarenes
• Authors of publication: Wu, Fu-Peng; Gu, Xing-Wei; Geng, Hui-Qing; Wu, Xiao-Feng
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2342 - 2347
• a: 14.3154 ± 0.0003 Å
• b: 26.4615 ± 0.0006 Å
• c: 6.2605 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2371.52 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No