Crystallography Open Database

Information card for entry 4518177

Preview

Coordinates	4518177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 N6
Calculated formula	C40 H28 N6
Title of publication	Bistriazoles with a Biphenyl Core Derivative as an Electron-Favorable Bipolar Host of Efficient Blue Phosphorescent Organic Light-Emitting Diodes.
Authors of publication	Lee, Jiun-Haw; Chen, Chia-Hsun; Lin, Bo-Yen; Lan, Yi-Hsin; Huang, Yi-Mei; Chen, Nai-Jing; Huang, Jau-Jiun; Volyniuk, Dmytro; Keruckiene, Rasa; Grazulevicius, Juozas Vidas; Wu, Yuh-Renn; Leung, Man-Kit; Chiu, Tien-Lung
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
a	9.6402 ± 0.0005 Å
b	21.1318 ± 0.0012 Å
c	14.7796 ± 0.0008 Å
α	90°
β	96.737 ± 0.005°
γ	90°
Cell volume	2990 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258594 (current)	2020-10-25	cif/ Adding structures of 4518177 via cif-deposit CGI script.	4518177.cif