Crystallography Open Database

Information card for entry 7233832

Preview

Coordinates	7233832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 S2
Calculated formula	C22 H14 S2
SMILES	s1c2ccccc2c2sc(cc12)c1ccc(cc1)c1ccccc1
Title of publication	Functionalized benzothieno[3,2 b]thiophenes (BTTs) for high performance organic thin-film transistors (OTFTs)
Authors of publication	Jangdae Youn; Peng-Yi Huang; Shiming Zhang; Chiao-Wei Liu; Sureshraju Vegiraju; Kumaresan Prabakaran; Charlotte Stern; Choongik Kim; Ming-Chou Chen; Antonio Facchetti; Tobin J. Marks
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	7599 - 7607
a	5.8953 ± 0.0007 Å
b	7.5358 ± 0.0009 Å
c	35.049 ± 0.004 Å
α	90°
β	90.563 ± 0.007°
γ	90°
Cell volume	1557 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218262 (current)	2019-09-13	cif/ Adding structures of 7233832 via cif-deposit CGI script.	7233832.cif