Crystallography Open Database

Information card for entry 7235276

Preview

Coordinates	7235276.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	34a
Chemical name	34a
Formula	C11 H6 O2 S5
Calculated formula	C11 H6 O2 S5
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	10.892 ± 0.003 Å
b	8.013 ± 0.0019 Å
c	14.444 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1260.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P m n b
Hall space group symbol	-P 2bc 2a
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7235276.cif