Crystallography Open Database

Information card for entry 7157583

Preview

Coordinates	7157583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9 F3 O3 S
Calculated formula	C10 H9 F3 O3 S
Title of publication	Synthesis of trifluoromethylthioesters from aldehydes via a visible light-promoted radical process.
Authors of publication	Wang, Meng-Yue; Zhu, Xue-Qing; Zhang, Xing-Long; Guo, Rui-Li; Jia, Qiong; Wang, Yong-Qiang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	30
Pages of publication	5918 - 5926
a	4.837 ± 0.0016 Å
b	12.644 ± 0.004 Å
c	18.82 ± 0.007 Å
α	90°
β	91.7 ± 0.006°
γ	90°
Cell volume	1150.5 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
257915 (current)	2020-10-06	cif/ Updating files of 7157583 Original log message: Adding full bibliography for 7157583.cif.	7157583.cif
255101	2020-08-06	cif/ Updating files of 7157583 Original log message: Adding full bibliography for 7157583.cif.	7157583.cif
254274	2020-07-14	cif/ Adding structures of 7157583 via cif-deposit CGI script.	7157583.cif