Information card for entry 1547263

Structure parameters

• Formula: C17 H22 B10 N2 O2
• Calculated formula: C17 H22 B10 N2 O2
• SMILES: O(C(=O)c1[nH]c2c(c1)cccc2)[B]1234[BH]567[BH]893[C]3%101([C]1%112(c2ncccc2)[BH]246[BH]46%11[BH]%11%101[BH]193[BH]358[BH]724[BH]6%1113)C
• Title of publication: Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.
• Authors of publication: Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5178 - 5181
• a: 7.8102 ± 0.0018 Å
• b: 10.484 ± 0.002 Å
• c: 14.408 ± 0.003 Å
• α: 101.922 ± 0.005°
• β: 101.787 ± 0.004°
• γ: 102.815 ± 0.004°
• Cell volume: 1086.2 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No