Crystallography Open Database

Information card for entry 8000280

Preview

Coordinates	8000280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 N2 O2 S
Calculated formula	C42 H36 N2 O2 S
Title of publication	Realizing Highly Efficient Solution-Processed Homojunction-Like Sky-Blue OLEDs by Using Thermally Activated Delayed Fluorescent Emitters Featuring an Aggregation-Induced Emission Property.
Authors of publication	Wu, Kailong; Wang, Zian; Zhan, Lisi; Zhong, Cheng; Gong, Shaolong; Xie, Guohua; Yang, Chuluo
Journal of publication	The journal of physical chemistry letters
Year of publication	2018
Pages of publication	1547 - 1553
a	13.5766 ± 0.0012 Å
b	15.6601 ± 0.0012 Å
c	15.8281 ± 0.0012 Å
α	90°
β	96.624 ± 0.003°
γ	90°
Cell volume	3342.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0929
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206936 (current)	2018-03-14	cif/ Adding structures of 8000280 via cif-deposit CGI script.	8000280.cif