Information card for entry 1567056

Structure parameters

• Formula: C19 H29 B11 O
• Calculated formula: C19 H29 B11 O
• 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: 27.0865 ± 0.0002 Å
• b: 27.0865 ± 0.0002 Å
• c: 12.6873 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9308.4 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2815
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No