Crystallography Open Database

Information card for entry 7134782

Preview

Coordinates	7134782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H86 Cl2 N6
Calculated formula	C93 H86 Cl2 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	15.8363 ± 0.0007 Å
b	15.8363 ± 0.0007 Å
c	58.867 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	14763.2 ± 1.4 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7134782.cif
300290	2025-07-03	cif/ Adding structures of 7134782, 7134783, 7134784 via cif-deposit CGI script.	7134782.cif