Crystallography Open Database

Information card for entry 4119945

4119944 << 4119945 >> 4119946

Preview

Structure parameters

Formula	C13 H13 Br F3 N O2 S
Calculated formula	C13 H13 Br F3 N O2 S
Title of publication	Trifluoromethanesulfonyl Hypervalent Iodonium Ylide for Copper-Catalyzed Trifluoromethylthiolation of Enamines, Indoles, and β-Keto Esters
Authors of publication	Yu-Dong Yang; Ayaka Azuma; Etsuko Tokunaga; Mikio Yamasaki; Motoo Shiro; Norio Shibata
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8782 - 8785
a	9.6091 ± 0.0006 Å
b	12.0979 ± 0.0009 Å
c	13.0841 ± 0.001 Å
α	90°
β	103.681 ± 0.008°
γ	90°
Cell volume	1477.87 ± 0.19 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119945.html