Crystallography Open Database

Information card for entry 7240289

Preview

Coordinates	7240289.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(Methyl-6-deoxy-2,3,4-tri-O-ethyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate
Formula	C19 H30 F3 N O8 S
Calculated formula	C19 H30 F3 N O8 S
SMILES	[n+]1(C[C@H]2O[C@@H](OC)[C@H](OCC)[C@@H](OCC)[C@@H]2OCC)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	15.5061 ± 0.0009 Å
b	6.3564 ± 0.0004 Å
c	24.1497 ± 0.0013 Å
α	90°
β	100.865 ± 0.003°
γ	90°
Cell volume	2337.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257964 (current)	2020-10-06	cif/ Updating files of 7240287, 7240288, 7240289 Original log message: Adding full bibliography for 7240287--7240289.cif.	7240289.cif
250491	2020-04-08	cif/ Adding structures of 7240287, 7240288, 7240289 via cif-deposit CGI script.	7240289.cif