Crystallography Open Database

Information card for entry 1569622

Preview

Coordinates	1569622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H23 N5
Calculated formula	C40 H23 N5
SMILES	n1c2c(nc3cc(c(cc13)C#N)C#N)c1c(c3cc(c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)cccc1
Title of publication	A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes.
Authors of publication	Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong
Journal of publication	Materials horizons
Year of publication	2023
Journal volume	10
Journal issue	8
Pages of publication	2997 - 3004
a	6.8738 ± 0.0005 Å
b	14.2252 ± 0.0009 Å
c	16.4821 ± 0.0011 Å
α	65.736 ± 0.002°
β	85.602 ± 0.003°
γ	81.263 ± 0.002°
Cell volume	1452.04 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
285459 (current)	2023-08-05	cif/ Adding structures of 1569622 via cif-deposit CGI script.	1569622.cif