Information card for entry 1569551

Structure parameters

• Formula: C22 H32.97 B Br0.03
• Calculated formula: C22 H32.966 B Br0.034
• Title of publication: Boroles from alumoles: accessing boroles with alkyl-substituted backbones <i>via</i> transtrielation.
• Authors of publication: Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 34
• Pages of publication: 9010 - 9015
• a: 9.7239 ± 0.0007 Å
• b: 9.09 ± 0.0005 Å
• c: 11.1927 ± 0.0008 Å
• α: 90°
• β: 97.359 ± 0.007°
• γ: 90°
• Cell volume: 981.18 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No