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Information card for entry 2241299
Preview
| Coordinates | 2241299.cif |
|---|---|
| Structure factors | 2241299.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-Hydroxy-2,2,6,6-tetramethylpiperidin-1-ium trifluoromethanesulfonate |
|---|---|
| Formula | C10 H20 F3 N O4 S |
| Calculated formula | C10 H20 F3 N O4 S |
| SMILES | C1(CCCC(C)(C)[NH+]1O)(C)C.C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Crystal structure of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium trifluoromethanesulfonate |
| Authors of publication | Godemann, Christian; Spannenberg, Anke; Beweries, Torsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o921 |
| a | 8.2824 ± 0.0002 Å |
| b | 8.7656 ± 0.0002 Å |
| c | 10.5703 ± 0.0003 Å |
| α | 79.5417 ± 0.0007° |
| β | 76.5159 ± 0.0007° |
| γ | 75.5022 ± 0.0006° |
| Cell volume | 716.28 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| 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 |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241299.cif 2241299.hkl |
| 170181 | 2015-11-07 | cif/ hkl/ Adding structures of 2241299 via cif-deposit CGI script. |
2241299.cif 2241299.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.