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Information card for entry 4000145
Preview
| Coordinates | 4000145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-Methyl-1-methylpyrroliden-1-ium bis(trifluoromethylsulphonyl)amide |
|---|---|
| Formula | C8 H12 F6 N2 O4 S2 |
| Calculated formula | C8 H12 F6 N2 O4 S2 |
| SMILES | [O-]S(C(F)(F)F)(=NS(C(F)(F)F)(=O)=O)=O.C[N+]1CCCC=1C |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| a | 8.1121 ± 0.0002 Å |
| b | 14.5315 ± 0.0005 Å |
| c | 12.8176 ± 0.0003 Å |
| α | 90° |
| β | 103.979 ± 0.002° |
| γ | 90° |
| Cell volume | 1466.2 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1045 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.