Crystallography Open Database

Information card for entry 4000756

Preview

Coordinates	4000756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H15 F5
Calculated formula	C30 H15 F5
SMILES	c1ccc2c(c1)cc1c(c2c2c(F)c(F)c(c(c2F)F)F)cc2c(c1c1ccccc1)cccc2
Title of publication	Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties
Authors of publication	Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	7
Pages of publication	1646
a	7.03676 ± 0.00013 Å
b	11.5431 ± 0.0002 Å
c	13.8379 ± 0.001 Å
α	76.874 ± 0.005°
β	75.87 ± 0.005°
γ	74.923 ± 0.005°
Cell volume	1036.28 ± 0.09 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123.1 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 significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4000756.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000756.cif
34934	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000756 via cif-deposit CGI script.	4000756.cif