Crystallography Open Database

Information card for entry 4001142

Preview

Coordinates	4001142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 S4
Calculated formula	C32 H18 S4
SMILES	c1csc(c1)c1cc(c2cccs2)c2c3c1ccc1c3c(cc2)c(cc1c1cccs1)c1cccs1
Title of publication	Effect of Molecular Packing on Field-Effect Performance of Single Crystals of Thienyl-Substituted Pyrenes
Authors of publication	Ashizawa, Minoru; Yamada, Koichi; Fukaya, Atsuko; Kato, Reizo; Hara, Kouji; Takeya, Jun
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	15
Pages of publication	4883
a	3.948 ± 0.002 Å
b	11.007 ± 0.006 Å
c	27.36 ± 0.01 Å
α	90°
β	90.278 ± 0.009°
γ	90°
Cell volume	1188.9 ± 1 Å³
Cell temperature	293.1 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 significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.3397
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001142.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001142.cif
41869	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001142, 4001143, 4001144, 4001145 via cif-deposit CGI script.	4001142.cif