Information card for entry 4103497

Structure parameters

• Formula: C17 H38 B10 Si
• Calculated formula: C17 H38 B10 Si
• SMILES: [Si]([C]1234[C]5678C(=C(CC)C(=C(CC)[B]9%1015[BH]156[BH]6%117[BH]728[BH]28%11[BH]%1156[BH]5%101[BH]139[BH]472[BH]8%1151)CC)CC)(C)(C)C
• Title of publication: Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes
• Authors of publication: Zaozao Qiu; Zuowei Xie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16085 - 16093
• a: 9.771 ± 0.003 Å
• b: 14.55 ± 0.005 Å
• c: 16.814 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2390.4 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No