Crystallography Open Database

Information card for entry 7234656

Preview

Coordinates	7234656.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Pyrene, 1,3,6,8-tetrakis[4-(1,1-dimethylethyl)phenyl]-
Formula	C56 H58
Calculated formula	C56 H58
Title of publication	Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs
Authors of publication	Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	3041 - 3058
a	12.3292 ± 0.0018 Å
b	14.816 ± 0.002 Å
c	23.194 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4236.8 ± 1 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	2
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
219383 (current)	2019-10-16	cif/ Adding structures of 7234651, 7234652, 7234653, 7234654, 7234655, 7234656 via cif-deposit CGI script.	7234656.cif