Information card for entry 4135007

Structure parameters

• Formula: C18 H32 B10
• Calculated formula: C18 H32 B10
• Title of publication: Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.
• Authors of publication: Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 22
• Pages of publication: 9890 - 9895
• a: 20.027 ± 0.003 Å
• b: 12.0453 ± 0.0016 Å
• c: 18.935 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4567.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No