Crystallography Open Database

Information card for entry 7233883

Preview

Coordinates	7233883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H33 N3
Calculated formula	C49 H33 N3
SMILES	n1(c2ccccc2c2c1ccc(c2)c1ccccc1c1ccccc1c1ccc(n2c(nc3c2cccc3)c2ccccc2)cc1)c1ccccc1
Title of publication	Highly twisted biphenyl-linked carbazole-benzimidazole hybrid bipolar host materials for efficient PhOLEDs
Authors of publication	Shuo-Hsien Cheng; Wen-Yi Hung; Ming-Hung Cheng; Hsiao-Fan Chen; Atul Chaskar; Gene-Hsiang Lee; Shu-Hua Chou; Ken-Tsung Wong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	8554 - 8563
a	11.8108 ± 0.0002 Å
b	11.8531 ± 0.0002 Å
c	14.4264 ± 0.0002 Å
α	86.6414 ± 0.001°
β	72.896 ± 0.0009°
γ	66.2337 ± 0.0009°
Cell volume	1762.45 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0822
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
218340 (current)	2019-09-17	cif/ Adding structures of 7233883 via cif-deposit CGI script.	7233883.cif