Crystallography Open Database

Information card for entry 1520117

1520116 << 1520117 >> 1520118

Preview

Coordinates	1520117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17.5 H18 F8 I O3.5 S2
Calculated formula	C17.5 H18 F8 I O3.5 S2
SMILES	[I+](c1c(cc(cc1C)C)C)c1cc(S(F)(F)(F)(F)F)ccc1.S(=O)(=O)([O-])C(F)(F)F.O=C(C)C
Title of publication	Synthesis of Diaryliodonium Salts Having Pentafluorosulfanylarenes and Their Application to Electrophilic Pentafluorosulfanylarylation of C-, O-, N-, and S-Nucleophiles.
Authors of publication	Matsuzaki, Kohei; Okuyama, Kenta; Tokunaga, Etsuko; Saito, Norimichi; Shiro, Motoo; Shibata, Norio
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	3038 - 3041
a	8.9435 ± 0.0002 Å
b	12.1892 ± 0.0003 Å
c	12.2642 ± 0.0003 Å
α	63.163 ± 0.001°
β	87.526 ± 0.001°
γ	77.6 ± 0.001°
Cell volume	1162.92 ± 0.05 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0292
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
141406 (current)	2015-07-09	cif/ Updating files of 1520117 Original log message: Adding full bibliography for 1520117.cif.	1520117.cif
137548	2015-05-30	cif/ Adding structures of 1520117 via cif-deposit CGI script.	1520117.cif