Crystallography Open Database

Information card for entry 7237565

Preview

Coordinates	7237565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H8 N0.67
Calculated formula	C13 H8 N0.666667
Title of publication	Nondoped blue fluorescent organic light-emitting diodes based on benzonitrile-anthracene derivative with 10.06% external quantum efficiency and low efficiency roll-off
Authors of publication	Liu, Wei; Ying, Shian; Guo, Runda; Qiao, Xianfeng; Leng, Panpan; Zhang, Qing; Wang, Yaxiong; Ma, Dongge; Wang, Lei
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	4
Pages of publication	1014
a	33.7852 ± 0.0009 Å
b	9.1188 ± 0.0002 Å
c	8.659 ± 0.0003 Å
α	90°
β	95.866 ± 0.003°
γ	90°
Cell volume	2653.7 ± 0.13 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
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	0.064
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237775 (current)	2019-11-24	cif/ Adding structures of 7237565, 7237566 via cif-deposit CGI script.	7237565.cif