Crystallography Open Database

Information card for entry 4124892

Preview

Coordinates	4124892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 F20 Li O6 S
Calculated formula	C16 H3 F20 Li O6 S
SMILES	[S-]12OC(c3c1c(ccc3)C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)O2)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li]([OH2])([OH2])([OH2])[OH2]
Title of publication	Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.
Authors of publication	Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	2
Pages of publication	479 - 482
a	11.4151 ± 0.0011 Å
b	14.6893 ± 0.0014 Å
c	16.2421 ± 0.0016 Å
α	70.277 ± 0.001°
β	78.78 ± 0.001°
γ	73.648 ± 0.001°
Cell volume	2445 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0508
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
175687 (current)	2016-02-04	cif/ Adding structures of 4124890, 4124891, 4124892, 4124893, 4124894, 4124895, 4124896 via cif-deposit CGI script.	4124892.cif