Crystallography Open Database

Information card for entry 4001218

Preview

Coordinates	4001218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 S2 Si2
Calculated formula	C28.56 H26 S1.5 Si2
SMILES	C[Si](C#Cc1c2cc3sccc3cc2c(c2c1cc1ccsc1c2)C#C[Si](C)(C)C)(C)C
Title of publication	Trialkylsilylethynyl-Functionalized Tetraceno[2,3-b]thiophene and Anthra[2,3-b]thiophene Organic Transistors
Authors of publication	Tang, Ming L.; Reichardt, Anna D.; Siegrist, Theo; Mannsfeld, Stefan C. B.; Bao, Zhenan
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	14
Pages of publication	4669
a	5.93 Å
b	10 Å
c	11.53 Å
α	75.43°
β	77.4°
γ	84.7°
Cell volume	645.295 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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 all reflections	0.1345
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for all reflections	0.217
Weighted residual factors for significantly intense reflections	0.2003
Weighted residual factors for all reflections included in the refinement	0.217
Goodness-of-fit parameter for all reflections included in the refinement	1.2246
Diffraction radiation wavelength	0.71073 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.	4001218.cif
170537	2015-11-25	cif/4 Fixing Z and Z' values and formulae	4001218.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001218.cif
41921	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001216, 4001217, 4001218, 4001219, 4001220 via cif-deposit CGI script.	4001218.cif