Crystallography Open Database

Information card for entry 7203065

7203064 << 7203065 >> 7203066

Preview

Coordinates	7203065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 S4
Calculated formula	C22 H14 S4
Title of publication	Tetrathia[22]annulene[2,1,2,1]: physical properties, crystal structure and application in organic field-effect transistors
Authors of publication	Zhao, Tianyue; Wei, Zhongming; Song, Yabin; Xu, Wei; Hu, Wenping; Zhu, Daoben
Journal of publication	Journal of Materials Chemistry
Year of publication	2007
Journal volume	17
Journal issue	41
Pages of publication	4377
a	10.9387 ± 0.0011 Å
b	11.4172 ± 0.0013 Å
c	14.3741 ± 0.0016 Å
α	90°
β	99.686 ± 0.007°
γ	90°
Cell volume	1769.6 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	3
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	0.0533
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180361 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/30.	7203065.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203065.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203065.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7203065.cif