Crystallography Open Database

Information card for entry 1559499

Preview

Coordinates	1559499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H4 Cl4 S2
Calculated formula	C10 H4 Cl4 S2
SMILES	C(=C\c1c(c(cs1)Cl)Cl)/c1c(c(Cl)cs1)Cl
Title of publication	Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers
Authors of publication	Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou
Journal of publication	Macromolecules
Year of publication	2020
Journal volume	53
Journal issue	22
Pages of publication	10147 - 10154
a	4.5288 ± 0.0016 Å
b	9.877 ± 0.003 Å
c	13.772 ± 0.004 Å
α	90°
β	95.219 ± 0.013°
γ	90°
Cell volume	613.5 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
259532 (current)	2020-12-04	cif/ Updating files of 1559498, 1559499 Original log message: Adding full bibliography for 1559498--1559499.cif.	1559499.cif
259104	2020-11-12	cif/ Adding structures of 1559499 via cif-deposit CGI script.	1559499.cif