Crystallography Open Database

Information card for entry 7227990

Preview

Coordinates	7227990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 F13 N2 O3 S2
Calculated formula	C15 H15 F13 N2 O3 S2
Title of publication	Phase-out-compliant fluorosurfactants: Unique methimazolium derivatives including room temperature ionic liquids
Authors of publication	Hummel, Michael; Markiewicz, Marta; Stolte, Stefan; Noisternig, Michael Franz; Braun, Doris Elfriede; Gelbrich, Thomas; Griesser, Ulrich J.; Partl, Gabriel Julian; Naier, Benjamin Florian; Wurst, Klaus; Krüger, Biljana; Kopacka, Holger; Laus, Gerhard; Huppertz, Hubert; Schottenberger, Herwig
Journal of publication	Green Chem.
Year of publication	2017
a	8.6657 ± 0.0002 Å
b	10.1187 ± 0.0004 Å
c	48.601 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4261.6 ± 0.3 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
194734 (current)	2017-04-04	cif/ Adding structures of 7227985, 7227986, 7227987, 7227988, 7227989, 7227990 via cif-deposit CGI script.	7227990.cif