Crystallography Open Database

Information card for entry 4124891

Preview

Coordinates	4124891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 F20 N O2 S
Calculated formula	C24 H23 F20 N O2 S
SMILES	c12c3cccc2C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)O[S-]1OC3(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F.[N+](CC)(CC)(CC)CC
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	11.9982 ± 0.001 Å
b	15.44 ± 0.0013 Å
c	15.5724 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2884.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 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.	4124891.cif