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Information card for entry 7240288
Preview
| Coordinates | 7240288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N-(1,4-anhydro-5-deoxy-2,3-O-isopropyliden-D-ribitol-5-yl)-pyridinium mesylate |
|---|---|
| Formula | C14 H22 N O6.5 S |
| Calculated formula | C14 H22 N O6.5 S |
| SMILES | [C@H]1([C@@H]2[C@H](CO1)OC(C)(C)O2)C[n+]1ccccc1.CS(=O)(=O)[O-].O |
| 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 | 16.0965 ± 0.0011 Å |
| b | 8.7488 ± 0.0006 Å |
| c | 13.4481 ± 0.0009 Å |
| α | 90° |
| β | 121.558 ± 0.003° |
| γ | 90° |
| Cell volume | 1613.8 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
7240288.cif |
| 257964 | 2020-10-06 | cif/ Updating files of 7240287, 7240288, 7240289 Original log message: Adding full bibliography for 7240287--7240289.cif. |
7240288.cif |
| 250491 | 2020-04-08 | cif/ Adding structures of 7240287, 7240288, 7240289 via cif-deposit CGI script. |
7240288.cif |
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Users of the data should acknowledge the original authors of the
structural data.