Crystallography Open Database

Information card for entry 1544811

Preview

Coordinates	1544811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 Br2 F4
Calculated formula	C14 H6 Br2 F4
SMILES	Brc1cc(F)c(c(F)c1)/C=C/c1c(F)cc(Br)cc1F
Title of publication	Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks
Authors of publication	Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui
Journal of publication	Polym. Chem.
Year of publication	2017
Journal volume	8
Journal issue	5
Pages of publication	879
a	10.453 ± 0.004 Å
b	4.7776 ± 0.0016 Å
c	12.787 ± 0.005 Å
α	90°
β	91.545 ± 0.006°
γ	90°
Cell volume	638.4 ± 0.4 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0332
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
191767 (current)	2017-02-04	cif/ Updating files of 1544811, 1544812, 1544813 Original log message: Adding full bibliography for 1544811--1544813.cif.	1544811.cif
189267	2016-12-20	cif/ Adding structures of 1544811, 1544812, 1544813 via cif-deposit CGI script.	1544811.cif