Crystallography Open Database

Information card for entry 7202478

7202477 << 7202478 >> 7202479

Preview

Coordinates	7202478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N2 O2 S2
Calculated formula	C18 H14 N2 O2 S2
SMILES	c12nc(c3ccc(cc3)OC)sc2nc(s1)c1ccc(cc1)OC
Title of publication	Synthesis, physical properties and field-effect transistors of novel thiazolothiazole?phenylene co-oligomers
Authors of publication	Ando, Shinji; Kumaki, Daisuke; Nishida, Jun-ichi; Tada, Hirokazu; Inoue, Youji; Tokito, Shizuo; Yamashita, Yoshiro
Journal of publication	Journal of Materials Chemistry
Year of publication	2007
Journal volume	17
Journal issue	6
Pages of publication	553
a	3.9826 ± 0.0004 Å
b	10.6 ± 0.001 Å
c	18.559 ± 0.002 Å
α	90°
β	91.327 ± 0.005°
γ	90°
Cell volume	783.27 ± 0.14 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.832
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7202478.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202478.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202478.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.	7202478.cif