Information card for entry 1547264

Structure parameters

• Formula: C18 H29 B10 N O4
• Calculated formula: C18 H29 B10 N O4
• SMILES: [B]1234([BH]567[BH]891[BH]1%105[BH]5%118[BH]8%12%13[BH]%1415[BH]17%10[BH]526[BH]8%141[CH]3%125[C]49%11%13c1ccccn1)OC(=O)C12CCC(CC2)(C(=O)OC)CC1
• 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: 10.435 ± 0.005 Å
• b: 10.813 ± 0.005 Å
• c: 21.42 ± 0.009 Å
• α: 84.083 ± 0.007°
• β: 81.585 ± 0.007°
• γ: 75.119 ± 0.007°
• Cell volume: 2305.3 ± 1.8 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: 0.1198
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2534
• Weighted residual factors for all reflections included in the refinement: 0.2982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No