Information card for entry 7127821

Structure parameters

• Formula: C13 H19 B10 N
• Calculated formula: C13 H19 B10 N
• Title of publication: Palladium-catalyzed selective B(3)-H arylation of o-carboranes with arylboronic acids at room temperature.
• Authors of publication: Yang, Ziyi; Wu, Yuanbo; Fu, Yatong; Yang, Jianxin; Lu, Jian; Lu, Ju-You
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 13
• Pages of publication: 1655 - 1658
• a: 6.5832 ± 0.0002 Å
• b: 12.9279 ± 0.0004 Å
• c: 19.4223 ± 0.0007 Å
• α: 90°
• β: 92.067 ± 0.003°
• γ: 90°
• Cell volume: 1651.9 ± 0.09 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0774
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No