Information card for entry 4121842

Structure parameters

• Formula: C19 H34 B10 Si
• Calculated formula: C19 H34 B10 Si
• SMILES: [Si](/C1=C2/[C]3456[C]789(C(CCCC)C2)[BH]2%103[BH]3%117[BH]7%128[BH]849[BH]49%12[BH]%12%117[BH]7%103[BH]352[B]684(c2c1cccc2)[BH]9%1273)(C)(C)C
• Title of publication: Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.
• Authors of publication: Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 21
• Pages of publication: 7599 - 7602
• a: 9.261 ± 0.002 Å
• b: 10.71 ± 0.002 Å
• c: 12.461 ± 0.003 Å
• α: 92.783 ± 0.004°
• β: 98.275 ± 0.004°
• γ: 105.007 ± 0.004°
• Cell volume: 1176.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No