Information card for entry 7132557

Structure parameters

• Formula: C14 H20 B10
• Calculated formula: C14 H20 B10
• SMILES: [CH]1234[CH]567[B]891(c1ccccc1)[BH]1%106[BH]6%115[B]527(c2ccccc2)[BH]274[BH]438[BH]39%10[BH]816[BH]%1152[BH]7438
• Title of publication: Iridium-catalyzed selective arylation of B(6)-H of 3-aryl-<i>o</i>-carboranes with arylboronic acid <i>via</i> direct B-H activation.
• Authors of publication: Yang, Han-Bo; Guo, Yan; Cao, Ke; Jiang, Qi-Jia; Teng, Chao-Chao; Zhu, Dao-Yong; Wang, Shao-Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 9
• Pages of publication: 1124 - 1127
• a: 15.8355 ± 0.0012 Å
• b: 10.979 ± 0.0009 Å
• c: 9.9081 ± 0.0007 Å
• α: 90°
• β: 100.451 ± 0.002°
• γ: 90°
• Cell volume: 1694 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.1311
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No