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Information card for entry 1543462
Preview
| Coordinates | 1543462.cif |
|---|---|
| Structure factors | 1543462.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide |
|---|---|
| Formula | C8 H11 F6 N3 O6 S2 |
| Calculated formula | C8 H11 F6 N3 O6 S2 |
| SMILES | S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.O(n1c([n+](OC)cc1)C)C |
| Title of publication | 1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide |
| Authors of publication | Partl, Gabriel; Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160824 |
| a | 12.4858 ± 0.0006 Å |
| b | 14.0212 ± 0.0006 Å |
| c | 9.848 ± 0.0004 Å |
| α | 90° |
| β | 98.179 ± 0.001° |
| γ | 90° |
| Cell volume | 1706.51 ± 0.13 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543462.cif 1543462.hkl |
| 183627 | 2016-06-17 | cif/ hkl/ Adding structures of 1543462 via cif-deposit CGI script. |
1543462.cif 1543462.hkl |
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Users of the data should acknowledge the original authors of the
structural data.