Information card for entry 4121329

Structure parameters

• Formula: C18 H34 B10 Si
• Calculated formula: C18 H34 B10 Si
• SMILES: [Si](/C(=C1\[C]2345[C]678(CC1)[BH]192[BH]2%106[BH]6%117[BH]738[BH]38%11[BH]%11%106[BH]692[BH]241[BH]573[BH]8%1162)c1c(cccc1)C(C)C)(C)(C)C
• Title of publication: Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni
• Authors of publication: Yangjian Quan; Jiji Zhang; Zuowei Xie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18742 - 18745
• a: 13.6375 ± 0.0018 Å
• b: 13.2534 ± 0.0018 Å
• c: 14.506 ± 0.002 Å
• α: 90°
• β: 108.952 ± 0.003°
• γ: 90°
• Cell volume: 2479.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2366
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No