Crystallography Open Database

Information card for entry 4001061

Preview

Structure parameters

Formula	C34 H24 S2
Calculated formula	C34 H24 S2
SMILES	c1ccc(cc1)C1=CC(=C2C=C(SC(=C2)c2ccccc2)c2ccccc2)C=C(S1)c1ccccc1
Title of publication	Field-Effect Transistors Based on Tetraphenyldipyranylidenes and the Sulfur Analogues
Authors of publication	Bolag, Altan; Mamada, Masashi; Nishida, Jun-ichi; Yamashita, Yoshiro
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	19
Pages of publication	4350
a	27.808 ± 0.003 Å
b	5.5222 ± 0.0004 Å
c	17.8631 ± 0.0012 Å
α	90°
β	117.876 ± 0.004°
γ	90°
Cell volume	2424.8 ± 0.4 Å³
Cell temperature	93.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	4001061.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.	4001061.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001061.cif
38952	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001061, 4001062 via cif-deposit CGI script.	4001061.cif