Information card for entry 1567050

Structure parameters

• Formula: C15 H21 B11
• Calculated formula: C15 H21 B11
• SMILES: [B]1(c2ccccc2c2ccccc12)[C]1234[C]567(C)[BH]893[BH]3%102[BH]2%111[BH]1%12%10[BH]%1093[BH]358[BH]586[BH]21([BH]%12%1035)[BH]47%118
• 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: 6.7358 ± 0.0001 Å
• b: 11.9489 ± 0.0002 Å
• c: 11.5149 ± 0.0002 Å
• α: 90°
• β: 103.165 ± 0.002°
• γ: 90°
• Cell volume: 902.42 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No