Crystallography Open Database

Information card for entry 7220231

7220230 << 7220231 >> 7220232

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Structure parameters

Formula	C23 H42 F6 N4 O4 S2
Calculated formula	C23 H42 F6 N4 O4 S2
SMILES	S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.[N+](=C1C(=C1N(CCC)CCC)N(CCC)CCC)(CCC)CCC
Title of publication	Synthesis and physical properties of tris(dialkylamino)cyclopropenium bistriflamide ionic liquids
Authors of publication	Walst, Kelvin J.; Yunis, Ruhamah; Bayley, Paul; MacFarlane, Doug; Ward, Callum J.; Wang, Ruomeng; Curnow, Owen John
Journal of publication	RSC Adv.
Year of publication	2015
a	19.2495 ± 0.0004 Å
b	10.09683 ± 0.00017 Å
c	34.277 ± 0.0007 Å
α	90°
β	105.887 ± 0.002°
γ	90°
Cell volume	6407.6 ± 0.2 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220231.cif
135772	2015-05-08	cif/ Adding structures of 7220231, 7220232 via cif-deposit CGI script.	7220231.cif