Crystallography Open Database

Information card for entry 1556849

Preview

Coordinates	1556849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H6 F6 N2 O2
Calculated formula	C16 H6 F6 N2 O2
SMILES	C(F)(F)(c1c(c2ccc(cc2C(F)(F)F)OC#N)ccc(c1)OC#N)F
Title of publication	A high-performance polycyanurate network derived from 4,4′-biscyanato-2,2′-trifluoromethylbiphenyl
Authors of publication	Liu, Jingfeng; Meng, Qingjie; Li, Liying; Lu, Gewu; Yuan, Hang; Cui, Lei; Liu, Xia; Mu, Hongliang; Ji, Jingjing; Zhou, Defeng; Wang, Zhen; Yan, Jingling
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	4
Pages of publication	784 - 788
a	11.7327 ± 0.0012 Å
b	9.6358 ± 0.0009 Å
c	13.0361 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1473.8 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
257936 (current)	2020-10-06	cif/ Updating files of 1556849 Original log message: Adding full bibliography for 1556849.cif.	1556849.cif
247837	2020-02-04	cif/ Updating files of 1556849 Original log message: Adding full bibliography for 1556849.cif.	1556849.cif
246307	2019-12-30	cif/ Adding structures of 1556849 via cif-deposit CGI script.	1556849.cif