Crystallography Open Database

Information card for entry 4001219

Preview

Coordinates	4001219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 S Si2
Calculated formula	C37 S1.372 Si2
SMILES	CC([Si](C(C)C)(C(C)C)C#Cc1c2cc3sccc3cc2c(c2c1cccc2)C#C[Si](C(C)C)(C(C)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	8.3354 ± 0.0008 Å
b	10.4582 ± 0.001 Å
c	11.0523 ± 0.0015 Å
α	68.223 ± 0.011°
β	86.768 ± 0.009°
γ	85.011 ± 0.008°
Cell volume	891.01 ± 0.18 Å³
Cell temperature	120 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	0.1806
Residual factor for significantly intense reflections	0.1132
Weighted residual factors for all reflections	0.2489
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2489
Goodness-of-fit parameter for all reflections included in the refinement	1.9614
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.	4001219.cif
170537	2015-11-25	cif/4 Fixing Z and Z' values and formulae	4001219.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001219.cif
41921	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001216, 4001217, 4001218, 4001219, 4001220 via cif-deposit CGI script.	4001219.cif