Information card for entry 7240288

Structure parameters

• 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 ų
• 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