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Information card for entry 2023112
Preview
| Coordinates | 2023112.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-Isopropylidene-<i>N</i>,2,4,6-tetramethylanilinium trifluoromethanesulfonate |
|---|---|
| Formula | C14 H20 F3 N O3 S |
| Calculated formula | C14 H20 F3 N O3 S |
| Title of publication | Synthesis and crystal structures of N,2,4,6-tetramethylanilinium trifluoromethanesulfonate and N-isopropylidene-N,2,4,6-tetramethylanilinium trifluoromethanesulfonate |
| Authors of publication | Stewart, John W.; Irons, Elena M.; Osorio Abanto, Giovanna; Zeller, Matthias; Zaleski, Curtis M.; Predecki, Daniel P. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 5 |
| a | 6.858 ± 0.0004 Å |
| b | 19.4619 ± 0.0012 Å |
| c | 12.6131 ± 0.0007 Å |
| α | 90° |
| β | 102.024 ± 0.002° |
| γ | 90° |
| Cell volume | 1646.53 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0649 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291385 (current) | 2024-04-27 | cif/ Adding structures of 2023111, 2023112 via cif-deposit CGI script. |
2023112.cif |
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Users of the data should acknowledge the original authors of the
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