Crystallography Open Database

Information card for entry 4111516

Preview

Coordinates	4111516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 S2
Calculated formula	C24 H14 S2
SMILES	c1(c2c3c(ccc4c(c5ccccc5)sc(c34)cc2)s1)c1ccccc1
Title of publication	2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors
Authors of publication	Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	3605 - 3612
a	7.3528 ± 0.0001 Å
b	8.1884 ± 0.0001 Å
c	28.6857 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1727.1 ± 0.04 Å³
Cell temperature	296.2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.1821
Goodness-of-fit parameter for all reflections included in the refinement	1.487
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.	4111516.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111516.cif
63116	2012-07-18	cif/ Adding structures of 4111516 via cif-deposit CGI script.	4111516.cif