Crystallography Open Database

Information card for entry 4111799

Preview

Coordinates	4111799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 N4 S4
Calculated formula	C18 H8 N4 S4
Title of publication	High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives
Authors of publication	Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	10142 - 10143
a	4.88 ± 0.01 Å
b	5.75 ± 0.01 Å
c	29.07 ± 0.05 Å
α	94.01 ± 0.09°
β	90.78 ± 0.08°
γ	105.03 ± 0.09°
Cell volume	785 ± 3 Å³
Cell temperature	93.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.2139
Goodness-of-fit parameter for all reflections included in the refinement	0.81
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
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.	4111799.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111799.cif
63411	2012-08-01	cif/ Adding structures of 4111799 via cif-deposit CGI script.	4111799.cif