Information card for entry 4121322

Structure parameters

• Formula: C19 H36 B10 Si
• Calculated formula: C19 H36 B10 Si
• SMILES: [Si](/C(=C\1[C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%152([BH]369%12)[BH]234[BH]4%13%15[BH]6%10%14[BH]97%11[BH]246[C]5839[C@@H](C1)CCCC)c1ccccc1)(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: 8.7189 ± 0.0008 Å
• b: 10.0982 ± 0.0009 Å
• c: 27.516 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2422.7 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No