Crystallography Open Database

Information card for entry 1545217

Preview

Coordinates	1545217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 F3 O4 S2
Calculated formula	C19 H13 F3 O4 S2
SMILES	[S+]1(c2c(Oc3c1cccc3)cccc2)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Synthesis of o-Aryloxy Triarylsulfonium Salts via Aryne Insertion into Diaryl Sulfoxides.
Authors of publication	Li, Xiaojin; Sun, Yan; Huang, Xin; Zhang, Lei; Kong, Lichun; Peng, Bo
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	4
Pages of publication	838 - 841
a	9.249 ± 0.0002 Å
b	10.7437 ± 0.0003 Å
c	19.2145 ± 0.0004 Å
α	90°
β	95.804 ± 0.002°
γ	90°
Cell volume	1899.53 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1214
Residual factor for significantly intense reflections	0.0886
Weighted residual factors for significantly intense reflections	0.2146
Weighted residual factors for all reflections included in the refinement	0.2345
Goodness-of-fit parameter for all reflections included in the refinement	1.387
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
193650 (current)	2017-03-04	cif/ Updating files of 1545217 Original log message: Adding full bibliography for 1545217.cif.	1545217.cif
191309	2017-02-04	cif/ Adding structures of 1545217 via cif-deposit CGI script.	1545217.cif