Crystallography Open Database

Information card for entry 4111515

Preview

Coordinates	4111515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 S2
Calculated formula	C36 H22 S2
SMILES	s1c(c2c3c1ccc1c(sc(c31)cc2)c1ccc(cc1)c1ccccc1)c1ccc(cc1)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	12.965 ± 0.002 Å
b	7.62 ± 0.002 Å
c	12.498 ± 0.001 Å
α	90°
β	100.246 ± 0.01°
γ	90°
Cell volume	1215 ± 0.4 Å³
Cell temperature	298.2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	0.882
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.	4111515.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111515.cif
63115	2012-07-18	cif/ Adding structures of 4111515 via cif-deposit CGI script.	4111515.cif