Information card for entry 1549432

Structure parameters

• Formula: C19 H29 B11 Br6 Cl2 Si
• Calculated formula: C19 H29 B11 Br6 Cl2 Si
• SMILES: [Br]([Si](c1ccccc1)(C(C)C)C(C)C)[B]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]15([B]12%14(Br)[B]2%11%15(Br)[B]58%12(Br)[B]369(Br)[B]4125Br)[CH]7%10%13%16.Clc1c(Cl)cccc1
• 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: 10.26054 ± 0.00014 Å
• b: 38.4104 ± 0.0006 Å
• c: 8.64061 ± 0.00013 Å
• α: 90°
• β: 100.552 ± 0.0014°
• γ: 90°
• Cell volume: 3347.78 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No