Information card for entry 7240287

Structure parameters

• 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 ų
• 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