Crystallography Open Database

Information card for entry 1568262

Preview

Coordinates	1568262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H41 F6 N3 O4 S2
Calculated formula	C23 H41 F6 N3 O4 S2
Title of publication	Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.
Authors of publication	Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.
Journal of publication	Soft matter
Year of publication	2023
Journal volume	19
Journal issue	4
Pages of publication	749 - 765
a	7.0531 ± 0.0002 Å
b	15.7762 ± 0.0005 Å
c	27.107 ± 0.0009 Å
α	96.4858 ± 0.0018°
β	95.9509 ± 0.0017°
γ	98.1327 ± 0.0017°
Cell volume	2944.75 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1068
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.2519
Weighted residual factors for all reflections included in the refinement	0.2612
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281616 (current)	2023-03-04	cif/ Updating files of 1568260, 1568261, 1568262 Original log message: Adding full bibliography for 1568260--1568262.cif.	1568262.cif
280264	2023-01-10	cif/ Adding structures of 1568260, 1568261, 1568262 via cif-deposit CGI script.	1568262.cif