Information card for entry 1567057

Structure parameters

• Formula: C28 H33 B Br N2
• Calculated formula: C28 H33 B Br N2
• Title of publication: Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene
• Authors of publication: Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 39.182 ± 0.0004 Å
• b: 9.7414 ± 0.0001 Å
• c: 13.0827 ± 0.0001 Å
• α: 90°
• β: 93.923 ± 0.001°
• γ: 90°
• Cell volume: 4981.8 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No