Crystallography Open Database

Information card for entry 7234654

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Coordinates	7234654.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Pyrene, 1,3,6,8-tetrakis(4-phenoxyphenyl)-
Formula	C64 H42 O4
Calculated formula	C64 H42 O4
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	15.87 ± 0.03 Å
b	7.203 ± 0.012 Å
c	19.66 ± 0.03 Å
α	90°
β	106.884 ± 0.017°
γ	90°
Cell volume	2150 ± 6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.0903
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
219383 (current)	2019-10-16	cif/ Adding structures of 7234651, 7234652, 7234653, 7234654, 7234655, 7234656 via cif-deposit CGI script.	7234654.cif