Crystallography Open Database

Information card for entry 1575566

Preview

Coordinates	1575566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H28 N2 O2
Calculated formula	C43 H28 N2 O2
Title of publication	Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.
Authors of publication	Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	37
Pages of publication	17304 - 17315
a	5.1445 ± 0.0001 Å
b	17.9411 ± 0.0005 Å
c	32.6591 ± 0.0007 Å
α	90°
β	91.848 ± 0.002°
γ	90°
Cell volume	3012.8 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
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	0.1007
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
302488 (current)	2025-10-06	cif/ Updating files of 1575566, 1575567, 1575568 Original log message: Adding full bibliography for 1575566--1575568.cif.	1575566.cif
301936	2025-08-30	cif/ Adding structures of 1575566, 1575567, 1575568 via cif-deposit CGI script.	1575566.cif