Crystallography Open Database

Information card for entry 7060309

Preview

Coordinates	7060309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 F11 N3 O6 S3
Calculated formula	C9.9988 H10 F10.997 N2.9994 O5.9988 S2.9994
Title of publication	Molecular design principles of ionic liquids with a sulfonyl fluoride moiety
Authors of publication	Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	5
Pages of publication	2443 - 2452
a	9.8011 ± 0.0003 Å
b	11.0925 ± 0.0003 Å
c	18.3728 ± 0.0006 Å
α	90°
β	97.261 ± 0.001°
γ	90°
Cell volume	1981.45 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060309.html