Information card for entry 7134374

Structure parameters

• Formula: C29 H27 B F3 N O3
• Calculated formula: C29 H27 B F3 N O3
• Title of publication: Cu-catalyzed borylative cyclization of N-(o-alkynylaryl)imines
• Authors of publication: Zhang, Tingting; Gui, Jinhai; Mo, Yu; Pu, Yuchuan; Zhao, Hongping; Liu, Yong; He, Chengyu
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 37
• Pages of publication: 6799 - 6802
• a: 13.9881 ± 0.0004 Å
• b: 13.1835 ± 0.0004 Å
• c: 14.3886 ± 0.0004 Å
• α: 90°
• β: 104.046 ± 0.002°
• γ: 90°
• Cell volume: 2574.1 ± 0.13 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1881
• 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: No
• Has Fobs: No