Crystallography Open Database

Information card for entry 1564427

Preview

Coordinates	1564427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 N2
Calculated formula	C50 H34 N2
SMILES	n1(c2ccccc2c2c1cccc2)c1cc(ccc1)c1c2ccccc2c(c2c1cccc2)c1ccc(N(c2ccccc2)c2ccccc2)cc1
Title of publication	Aggregation-induced emission luminogen with excellent triplet-triplet upconversion efficiency for highly efficient non-doped blue organic light-emitting diodes.
Authors of publication	Han, Pengbo; Lin, Chengwei; Wang, Kaojin; Qiu, Yanping; Wu, Haozhong; Qin, Anjun; Ma, Dongge; Tang, Ben Zhong
Journal of publication	Materials horizons
Year of publication	2022
Journal volume	9
Journal issue	1
Pages of publication	376 - 382
a	19.525 ± 0.01 Å
b	9.546 ± 0.006 Å
c	20.594 ± 0.013 Å
α	90°
β	114.38 ± 0.02°
γ	90°
Cell volume	3496 ± 4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
272793 (current)	2022-02-04	cif/ Updating files of 1564427 Original log message: Adding full bibliography for 1564427.cif.	1564427.cif
268276	2021-08-28	cif/ Adding structures of 1564427 via cif-deposit CGI script.	1564427.cif