Crystallography Open Database

Information card for entry 7234655

Preview

Coordinates	7234655.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Thiophene, 2,2',2'',2'''-(1,3,6,8-pyrenetetrayl)tetrakis-
Formula	C32 H18 S4
Calculated formula	C32 H18 S4
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	13.688 ± 0.003 Å
b	8.4634 ± 0.0016 Å
c	10.987 ± 0.002 Å
α	90°
β	111.999 ± 0.003°
γ	90°
Cell volume	1180.1 ± 0.4 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 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	0.0396
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7234655.cif