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Information card for entry 7240287
Preview
| Coordinates | 7240287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N-(Phenyl-6-deoxy-2,3,4-tri-O-methyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate |
|---|---|
| Formula | C21 H26 F3 N O8 S |
| Calculated formula | C21 H26 F3 N O8 S |
| SMILES | [n+]1(C[C@H]2O[C@@H](Oc3ccccc3)[C@H](OC)[C@@H](OC)[C@@H]2OC)ccccc1.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells |
| Authors of publication | Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 24 |
| Pages of publication | 14299 - 14304 |
| a | 7.1908 ± 0.0004 Å |
| b | 15.8291 ± 0.0008 Å |
| c | 20.6394 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2349.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1011 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240287.cif |
| 257964 | 2020-10-06 | cif/ Updating files of 7240287, 7240288, 7240289 Original log message: Adding full bibliography for 7240287--7240289.cif. |
7240287.cif |
| 250491 | 2020-04-08 | cif/ Adding structures of 7240287, 7240288, 7240289 via cif-deposit CGI script. |
7240287.cif |
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Users of the data should acknowledge the original authors of the
structural data.