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Information card for entry 4106508
Preview
Coordinates | 4106508.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H33 B11 Cl6 F2 Si |
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Calculated formula | C26 H33 B11 Cl6 F2 Si |
SMILES | [Si]1(c2c(cccc2C2=C([C+](C(=C(C12C)C)C)C)C)c1c(F)cccc1F)(C)C.Cl[B]1234[B]567(Cl)[B]89%10(Cl)[B]%11%12%13(Cl)[B]%141(Cl)([BH]1%152[CH]2%16%17[BH]351[BH]682[BH]9%11%16[BH]%12%14%15%17)[B]47%10%13Cl |
Title of publication | Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions? |
Authors of publication | Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 11844 - 11846 |
a | 27.1144 ± 0.0003 Å |
b | 15.1513 ± 0.0002 Å |
c | 8.5484 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3511.84 ± 0.07 Å3 |
Cell temperature | 160 ± 1 K |
Ambient diffraction temperature | 160 ± 1 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0845 |
Weighted residual factors for all reflections included in the refinement | 0.0912 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106508.html
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Users of the data should acknowledge the original authors of the
structural data.