Crystallography Open Database

Information card for entry 4000757

Preview

Coordinates	4000757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20
Calculated formula	C30 H20
SMILES	c1ccc(cc1)c1c2cc3ccccc3c(c2cc2c1cccc2)c1ccccc1
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	9.2589 ± 0.0007 Å
b	10.9073 ± 0.0008 Å
c	10.9164 ± 0.0009 Å
α	66.773 ± 0.004°
β	80.036 ± 0.004°
γ	89.745 ± 0.005°
Cell volume	995.33 ± 0.14 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000757.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000757.cif
34935	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000757 via cif-deposit CGI script.	4000757.cif