Crystallography Open Database

Information card for entry 7234475

Preview

Coordinates	7234475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 S2
Calculated formula	C22 H16 S2
SMILES	s1c(/C(=C(c2ccccc2)/c2sccc2)c2ccccc2)ccc1
Title of publication	Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors
Authors of publication	Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	10074 - 10078
a	9.831 ± 0.005 Å
b	9.58 ± 0.004 Å
c	10.09 ± 0.003 Å
α	90°
β	105.875 ± 0.019°
γ	90°
Cell volume	914 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1483
Residual factor for significantly intense reflections	0.1002
Weighted residual factors for significantly intense reflections	0.2058
Weighted residual factors for all reflections included in the refinement	0.2281
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
219162 (current)	2019-10-08	cif/ Adding structures of 7234472, 7234473, 7234474, 7234475 via cif-deposit CGI script.	7234475.cif