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Information card for entry 1549430
Preview
Coordinates | 1549430.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H15 B11 Br6 Si |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1549430.html
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