Crystallography Open Database

Information card for entry 1571770

Preview

Coordinates	1571770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 N6
Calculated formula	C44 H32 N6
Title of publication	Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.
Authors of publication	Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi
Journal of publication	Materials horizons
Year of publication	2024
Journal volume	11
Journal issue	16
Pages of publication	3928 - 3934
a	32.311 ± 0.0013 Å
b	11.2344 ± 0.0005 Å
c	22.7693 ± 0.0009 Å
α	90°
β	119.706 ± 0.001°
γ	90°
Cell volume	7178.9 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
294646 (current)	2024-09-06	cif/ Updating files of 1571770, 1571771 Original log message: Adding full bibliography for 1571770--1571771.cif.	1571770.cif
292172	2024-06-03	cif/ Adding structures of 1571770, 1571771 via cif-deposit CGI script.	1571770.cif