Information card for entry 1547262

Structure parameters

• Formula: C10 H19 B10 N O2
• Calculated formula: C10 H19 B10 N O2
• SMILES: O(C(=O)C)[B]1234[C]567([C]891(c1ncccc1)[BH]1%10%11[BH]%1238[BH]38%11[BH]%11%13%10[BH]691[BH]17%11[BH]625[BH]4%123[BH]8%1316)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: 7.708 ± 0.0014 Å
• b: 7.8648 ± 0.0014 Å
• c: 14.246 ± 0.003 Å
• α: 105.133 ± 0.002°
• β: 90.39 ± 0.003°
• γ: 110.375 ± 0.003°
• Cell volume: 776.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0535
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No