Crystallography Open Database

Information card for entry 7126413

Preview

Coordinates	7126413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H46 N4
Calculated formula	C53 H46 N4
Title of publication	Rotation-restricted thermally activated delayed fluorescence compounds for efficient solution-processed OLEDs with EQEs of up to 24.3% and small roll-off.
Authors of publication	Li, Kuofei; Zhu, Yunhui; Yao, Bing; Chen, Yuannan; Deng, Hao; Zhang, Qisheng; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	44
Pages of publication	5957 - 5960
a	11.7669 ± 0.001 Å
b	12.1939 ± 0.001 Å
c	15.1362 ± 0.0012 Å
α	102.506 ± 0.002°
β	97.611 ± 0.002°
γ	102.676 ± 0.002°
Cell volume	2031.3 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1327
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1994
Weighted residual factors for all reflections included in the refinement	0.2624
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
252673 (current)	2020-06-05	cif/ Updating files of 7126413, 7126414, 7126415 Original log message: Adding full bibliography for 7126413--7126415.cif.	7126413.cif
250954	2020-04-21	cif/ Adding structures of 7126413, 7126414, 7126415 via cif-deposit CGI script.	7126413.cif