Information card for entry 4134628

Structure parameters

• Formula: C12 H24 B10 O
• Calculated formula: C12 H24 B10 O
• SMILES: O(C(C)(C)C)[B]1234[CH]567[C]89%10(c%11ccccc%11)[BH]%1115[BH]159[BH]93%11[BH]3%114[BH]426[BH]278[BH]634[BH]%1012[BH]59%116
• Title of publication: Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.
• Authors of publication: Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.1222 ± 0.0011 Å
• b: 16.2539 ± 0.0019 Å
• c: 19.748 ± 0.003 Å
• α: 90°
• β: 96.326 ± 0.004°
• γ: 90°
• Cell volume: 3548.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No