Crystallography Open Database

Information card for entry 1508658

Preview

Coordinates	1508658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H10 S4
Calculated formula	C22 H10 S4
SMILES	s1c2ccccc2c2sc3c(c12)cc1sc2c4c(sc2c1c3)cccc4
Title of publication	Largely π-extended thienoacenes with internal thieno[3,2-b]thiophene substructures: synthesis, characterization, and organic field-effect transistor applications.
Authors of publication	Yamamoto, Tatsuya; Nishimura, Takeshi; Mori, Takamichi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	4914 - 4917
a	18.3 ± 0.02 Å
b	3.974 ± 0.005 Å
c	11.7 ± 0.02 Å
α	90 ± 0.003°
β	104.608 ± 0.003°
γ	90 ± 0.003°
Cell volume	823 ± 2 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0878
Weighted residual factors for all reflections included in the refinement	0.2062
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508658.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508658.cif
72142	2013-01-21	cif/ Adding structures of 1508658 via cif-deposit CGI script.	1508658.cif