Information card for entry 1549430

Structure parameters

• Formula: C4 H15 B11 Br6 Si
• Calculated formula: C4 H15 B11 Br6 Si
• SMILES: [Br]([Si](C)(C)C)[B]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%155([B]5%16%13(Br)[B]%13%10%12(Br)[B]281(Br)[B]4%16%13(Br)[B]36%155Br)[CH]79%11%14
• Title of publication: Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.
• Authors of publication: Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 5600 - 5607
• a: 7.628 ± 0.0005 Å
• b: 10.6903 ± 0.0008 Å
• c: 12.8641 ± 0.0007 Å
• α: 83.21 ± 0.006°
• β: 88.683 ± 0.005°
• γ: 73.76 ± 0.007°
• Cell volume: 1000.03 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1348
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No