Information card for entry 4121843

Structure parameters

• Formula: C19 H33 B10 F Si
• Calculated formula: C19 H33 B10 F Si
• SMILES: Fc1ccc2C(=C3[C]4567[C]89%10(C(CCCC)C3)[BH]3%114[BH]4%128[BH]8%139[BH]95%10[BH]5%10%13[BH]%13%128[BH]8%114[BH]463[B]795(c2c1)[BH]%10%1384)[Si](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: 8.8283 ± 0.0016 Å
• b: 11.613 ± 0.002 Å
• c: 13.229 ± 0.002 Å
• α: 65.024 ± 0.003°
• β: 82.275 ± 0.003°
• γ: 77.608 ± 0.003°
• Cell volume: 1199.3 ± 0.4 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: 0.1268
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No