Crystallography Open Database

Information card for entry 4001220

Preview

Coordinates	4001220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 S Si2
Calculated formula	C31 S1.26 Si2
SMILES	CC[Si](C#Cc1c2ccccc2c(c2c1cc1sccc1c2)C#C[Si](CC)(CC)CC)(CC)CC
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	11.0096 ± 0.0008 Å
b	11.3272 ± 0.0008 Å
c	11.9921 ± 0.0012 Å
α	90°
β	91.079 ± 0.007°
γ	90°
Cell volume	1495.2 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2832
Residual factor for significantly intense reflections	0.156
Weighted residual factors for all reflections	0.3313
Weighted residual factors for significantly intense reflections	0.2539
Weighted residual factors for all reflections included in the refinement	0.3313
Goodness-of-fit parameter for all reflections included in the refinement	1.3034
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
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.	4001220.cif
170537	2015-11-25	cif/4 Fixing Z and Z' values and formulae	4001220.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001220.cif
41921	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001216, 4001217, 4001218, 4001219, 4001220 via cif-deposit CGI script.	4001220.cif