Information card for entry 1558372

Structure parameters

• Formula: C24 H26 B Br N
• Calculated formula: C24 H26 B Br N
• Title of publication: BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes
• Authors of publication: Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 13.4204 ± 0.0006 Å
• b: 13.4075 ± 0.0004 Å
• c: 13.5682 ± 0.0005 Å
• α: 90°
• β: 118.076 ± 0.005°
• γ: 90°
• Cell volume: 2154.09 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No