Crystallography Open Database

Information card for entry 4519136

4519135 << 4519136 >> 4519137

Preview

Coordinates	4519136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H21.5 N21.5 O21.5 S21.5
Calculated formula	C72 H71.088 N2 O6 S2
Title of publication	Chiral Thermally Activated Delayed Fluorescence Emitters-Based Efficient Circularly Polarized Organic Light-Emitting Diodes Featuring Low Efficiency Roll-Off.
Authors of publication	Liu, Ting-Ting; Yan, Zhi-Ping; Hu, Jia-Jun; Yuan, Li; Luo, Xu-Feng; Tu, Zhen-Long; Zheng, You-Xuan
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	47
Pages of publication	56413 - 56419
a	12.66 ± 0.003 Å
b	20.017 ± 0.004 Å
c	52.343 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	13265 ± 5 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271017 (current)	2021-12-03	cif/ Adding structures of 4519136 via cif-deposit CGI script.	4519136.cif