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Information card for entry 2011035
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| Coordinates | 2011035.cif |
|---|---|
| Structure factors | 2011035.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimethylphenylsulfonium trifluormethansulfonate |
|---|---|
| Formula | C9 H11 F3 O3 S2 |
| Calculated formula | C9 H11 F3 O3 S2 |
| SMILES | C[S+](C)c1ccccc1.C(S(=O)(=O)[O-])(F)(F)F |
| Title of publication | Dimethylphenylsulfonium trifluoromethanesulfonate and methyldiphenylsulfonium trifluoromethanesulfonate |
| Authors of publication | Schulze-Matthäi, Kerstin; Bendig, Jürgen; Neubauer, Petra; Ziemer, Burkhard |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | e257 - e258 |
| a | 13.659 ± 0.002 Å |
| b | 10.045 ± 0.002 Å |
| c | 9.4366 ± 0.0016 Å |
| α | 90° |
| β | 108.205 ± 0.018° |
| γ | 90° |
| Cell volume | 1229.9 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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