Crystallography Open Database

Information card for entry 1572138

Preview

Coordinates	1572138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H52 B N2 S
Calculated formula	C60 H52 B N2 S
Title of publication	10-Dibenzothiophenyl-9,9-diphenylacridane-based multiple resonance emitters for high-efficiency narrowband green OLEDs with CIE <i>y</i> > 0.7 at high doping concentrations.
Authors of publication	Zhong, Rui; Wang, Mengyu; Wang, Xingdong; Wang, Shumeng; Shao, Shiyang; Wang, Lixiang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	33
Pages of publication	13290 - 13298
a	11.287 ± 0.006 Å
b	12.693 ± 0.006 Å
c	18.454 ± 0.01 Å
α	101.306 ± 0.014°
β	101.726 ± 0.015°
γ	97.471 ± 0.014°
Cell volume	2498 ± 2 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1857
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.2474
Weighted residual factors for all reflections included in the refinement	0.302
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
294474 (current)	2024-09-06	cif/ Updating files of 1572138 Original log message: Adding full bibliography for 1572138.cif.	1572138.cif
293446	2024-07-18	cif/ Adding structures of 1572138 via cif-deposit CGI script.	1572138.cif