Crystallography Open Database

Information card for entry 7235274

Preview

Coordinates	7235274.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	17b
Chemical name	17b
Formula	C19 H14 O5 S4
Calculated formula	C19 H14 O5 S4
Title of publication	Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C‒S coupling between aryl iodides and zinc‒thiolate complex (TBA)2[Zn(DMIT)2]
Authors of publication	Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	26
Pages of publication	10193
a	12.696 ± 0.009 Å
b	17.151 ± 0.012 Å
c	10.238 ± 0.007 Å
α	90°
β	114.694 ± 0.005°
γ	90°
Cell volume	2025 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
232644 (current)	2019-11-23	cif/ Adding structures of 7235274, 7235275, 7235276, 7235277 via cif-deposit CGI script.	7235274.cif