Crystallography Open Database

Information card for entry 7212922

Preview

Coordinates	7212922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 S3
Calculated formula	C16 H8 S3
SMILES	s1c2ccccc2c2c1sc1sc3c(c21)cccc3
Title of publication	Single crystal ribbons and transistors of a solution processed sickle-like fused-ring thienoacene
Authors of publication	Li, Rongjin; Dong, Huanli; Zhan, Xiaowei; He, Yudong; Li, Hongxiang; Hu, Wenping
Journal of publication	Journal of Materials Chemistry
Year of publication	2010
Journal volume	20
Journal issue	29
Pages of publication	6014
a	3.8834 ± 0.0008 Å
b	7.5943 ± 0.0015 Å
c	41.63 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1227.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180460 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/29.	7212922.cif
93674	2014-01-13	cif/ Adding structures of 7212922 via cif-deposit CGI script.	7212922.cif