Crystallography Open Database

Information card for entry 7202479

7202478 << 7202479 >> 7202480

Preview

Coordinates	7202479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H4 F6 N2 S2
Calculated formula	C16 H4 F6 N2 S2
SMILES	s1c2c(nc1c1cc(c(cc1F)F)F)sc(c1cc(c(cc1F)F)F)n2
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	3.744 ± 0.004 Å
b	6.07 ± 0.007 Å
c	15.84 ± 0.02 Å
α	91.8 ± 0.05°
β	96.94 ± 0.05°
γ	84.68 ± 0.04°
Cell volume	355.7 ± 0.7 Å³
Cell temperature	93.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	0.904
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.	7202479.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202479.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202479.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.	7202479.cif