Crystallography Open Database

Information card for entry 4001473

Preview

Coordinates	4001473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 S4
Calculated formula	C12 H12 S4
SMILES	S1C(SC2=C1CCC2)=C1SC2=C(S1)CCC2
Title of publication	High Mobility Organic Field-Effect Transistor Based on Hexamethylenetetrathiafulvalene with Organic Metal Electrodes
Authors of publication	Takahashi, Yukihiro; Hasegawa, Tatsuo; Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori; Saito, Gunji
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	26
Pages of publication	6382
a	6.377 ± 0.003 Å
b	14.534 ± 0.007 Å
c	12.919 ± 0.007 Å
α	90°
β	94.683 ± 0.011°
γ	90°
Cell volume	1193.4 ± 1 Å³
Cell temperature	296.1 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 significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.688 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301811 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure.	4001473.cif
201982	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4001473.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001473.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001473.cif
45276	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001473 via cif-deposit CGI script.	4001473.cif