Information card for entry 4121844

Structure parameters

• Formula: C20 H36 B10 O Si
• Calculated formula: C20 H36 B10 O Si
• SMILES: [Si](C1=C2[C]3456[BH]789[BH]%10%11%12[BH]%13%14%15[BH]%163([BH]3%17%14[BH]%14%11%13[BH]%118%10[B]847([BH]5%163[BH]%17%14%118)c3c1ccc(OC)c3)[C]69%12%15[C@@H](CCCC)C2)(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: 9.713 ± 0.003 Å
• b: 11.46 ± 0.004 Å
• c: 21.611 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2405.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.2309
• Residual factor for significantly intense reflections: 0.1257
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.29
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No