Crystallography Open Database

Information card for entry 1559498

Preview

Coordinates	1559498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H2 Cl4 S2
Calculated formula	C8 H2 Cl4 S2
SMILES	c1c(c(c(s1)c1c(c(cs1)Cl)Cl)Cl)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	10.4092 ± 0.0003 Å
b	3.8459 ± 0.0001 Å
c	13.332 ± 0.0004 Å
α	90°
β	106.08 ± 0.001°
γ	90°
Cell volume	512.84 ± 0.03 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.97 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	1559498.cif
259103	2020-11-12	cif/ Adding structures of 1559498 via cif-deposit CGI script.	1559498.cif