Information card for entry 1573777

Structure parameters

• Formula: C28 H28 B10 O
• Calculated formula: C28 H28 B10 O
• Title of publication: Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
• Authors of publication: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 3705 - 3712
• a: 15.0683 ± 0.0008 Å
• b: 18.877 ± 0.0009 Å
• c: 18.5211 ± 0.001 Å
• α: 90°
• β: 90.849 ± 0.004°
• γ: 90°
• Cell volume: 5267.6 ± 0.5 ų
• Cell temperature: 225 K
• Ambient diffraction temperature: 225 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1665
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.2944
• Weighted residual factors for all reflections included in the refinement: 0.344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No