Information card for entry 1566151

Structure parameters

• Formula: C29 H49 B Br N3
• Calculated formula: C29 H49 B Br N3
• Title of publication: Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations
• Authors of publication: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2303 - 2309
• a: 16.6843 ± 0.0011 Å
• b: 10.1022 ± 0.0008 Å
• c: 17.8126 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002.3 ± 0.4 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No