Crystallography Open Database

Information card for entry 4110557

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Structure parameters

Formula	C28 H18 S4
Calculated formula	C28 H18 S4
SMILES	s1c(ccc1c1sccc1)c1ccc(c2ccc(c3sc(cc3)c3sccc3)cc2)cc1
Title of publication	Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties
Authors of publication	Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	5792 - 5801
a	5.824 ± 0.0006 Å
b	7.2935 ± 0.0012 Å
c	25.316 ± 0.007 Å
α	90°
β	96.23 ± 0.02°
γ	90°
Cell volume	1069 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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