Crystallography Open Database

Information card for entry 4101605

Preview

Coordinates	4101605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H8 S2
Calculated formula	C20 H8 S2
SMILES	S1c2ccc3ccc4c5c3c2c2c3c(ccc(c53)S4)ccc12
Title of publication	Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene
Authors of publication	Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Journal issue	1
Pages of publication	1 - 3
a	9.6585 ± 0.0019 Å
b	4.3731 ± 0.0009 Å
c	15.436 ± 0.003 Å
α	90°
β	98.37 ± 0.03°
γ	90°
Cell volume	645 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.064
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
178762 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/16.	4101605.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101605.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101605.cif
21734	2011-06-27	../uploads/cif-deposit/cod/cif Adding structures of 4101605 via cif-deposit CGI script.	4101605.cif