Information card for entry 1549431

Structure parameters

• Formula: C14 H19 B11 Br6 Si
• Calculated formula: C14 H19 B11 Br6 Si
• SMILES: [Br]([Si](c1ccccc1)(c1ccccc1)C)[B]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]15([B]13%15(Br)[B]3%12%14(Br)[B]59%11(Br)[B]268(Br)[B]4135Br)[CH]7%10%13%16
• 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: 18.5845 ± 0.0004 Å
• b: 14.7047 ± 0.0002 Å
• c: 19.673 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5376.23 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No