Crystallography Open Database

Information card for entry 1542298

Preview

Coordinates	1542298.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,9-bis(4-(2,2-diphenylvinyl)phenyl)-naphtho[2,3-c][1,2,5]selenadiazole
Formula	C50 H34 N2 Se
Calculated formula	C50 H34 N2 Se
Title of publication	High-efficiency and low efficiency roll-off near-infrared fluorescent OLEDs through triplet fusion
Authors of publication	Xue, Jie; Li, Chen; Xin, Lijun; Duan, Lian; Qiao, Juan
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	4
Pages of publication	2888
a	10.2218 ± 0.0007 Å
b	9.8805 ± 0.001 Å
c	20.3205 ± 0.0016 Å
α	90°
β	117.561 ± 0.006°
γ	90°
Cell volume	1819.4 ± 0.3 Å³
Cell temperature	104.6 K
Ambient diffraction temperature	104.6 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	0.0606
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181585 (current)	2016-04-05	cif/ Updating files of 1542298 Original log message: Adding full bibliography for 1542298.cif.	1542298.cif
174595	2016-01-20	cif/ Adding structures of 1542298 via cif-deposit CGI script.	1542298.cif