Information card for entry 4121326

Structure parameters

• Formula: C19 H30 B10 F5 Si
• Calculated formula: C19 H30 B10 F5 Si
• SMILES: [Si](/C(=C\1[C]2345[C]678(C(CCCC)C1)[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(F)c(F)c(F)c(F)c1F)(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: 7.698 ± 0.002 Å
• b: 8.822 ± 0.003 Å
• c: 20.149 ± 0.006 Å
• α: 94.947 ± 0.005°
• β: 91.027 ± 0.005°
• γ: 110.034 ± 0.005°
• Cell volume: 1279.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1506
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2721
• Weighted residual factors for all reflections included in the refinement: 0.3204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No