Crystallography Open Database

Information card for entry 7134783

Preview

Coordinates	7134783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H56 Cl4 N6
Calculated formula	C78 H56 Cl4 N6
Title of publication	Planar chiral orange-red TADF materials with AIE properties for efficient circularly polarized OLEDs.
Authors of publication	Xiao, Xiong; Liang, Jia-Qi; Hu, Jia-Jun; Yuan, Li; Zhu, Jia-Zhen; Chen, Zong-Ju; Song, You; Li, Cheng-Hui; Zheng, You-Xuan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	63
Pages of publication	11766 - 11769
a	13.5469 ± 0.001 Å
b	23.814 ± 0.0014 Å
c	19.642 ± 0.0012 Å
α	90°
β	108.456 ± 0.002°
γ	90°
Cell volume	6010.7 ± 0.7 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.1181
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.2268
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301488 (current)	2025-08-05	cif/ Updating files of 7134782, 7134783, 7134784 Original log message: Adding full bibliography for 7134782--7134784.cif.	7134783.cif
300290	2025-07-03	cif/ Adding structures of 7134782, 7134783, 7134784 via cif-deposit CGI script.	7134783.cif