Crystallography Open Database

Information card for entry 4514569

Preview

Coordinates	4514569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H84 N6
Calculated formula	C85 H84 N6
Title of publication	Pyridine-Carbonitrile-Carbazole-Based Delayed Fluorescence Materials with Highly Congested Structures and Excellent OLED Performance.
Authors of publication	Jayakumar, Jayachandran; Wu, Tien-Lin; Huang, Min-Jie; Huang, Pei-Yun; Chou, Tsu-Yu; Lin, Hao-Wu; Cheng, Chien-Hong
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	23
Pages of publication	21042 - 21048
a	12.3627 ± 0.0005 Å
b	16.5069 ± 0.0006 Å
c	19.3243 ± 0.0007 Å
α	78.505 ± 0.002°
β	80.157 ± 0.002°
γ	71.752 ± 0.002°
Cell volume	3645 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0853
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1726
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
219754 (current)	2019-10-28	cif/ Adding structures of 4514569 via cif-deposit CGI script.	4514569.cif