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Information card for entry 1544339
Preview
| Coordinates | 1544339.cif |
|---|---|
| Structure factors | 1544339.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | [(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide |
|---|---|
| Formula | C7 H15 F6 N3 O4 S2 |
| Calculated formula | C7 H15 F6 N3 O4 S2 |
| SMILES | S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F.[NH+](C)(C)CN(C)C |
| Title of publication | [(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide |
| Authors of publication | Hummel, Michael; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 10 |
| Pages of publication | x161658 |
| a | 8.5071 ± 0.0003 Å |
| b | 20.9755 ± 0.0008 Å |
| c | 8.9099 ± 0.0004 Å |
| α | 90° |
| β | 90.173 ± 0.003° |
| γ | 90° |
| Cell volume | 1589.88 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187493 (current) | 2016-10-22 | cif/ hkl/ Adding structures of 1544339 via cif-deposit CGI script. |
1544339.cif 1544339.hkl |
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Users of the data should acknowledge the original authors of the
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