Crystallography Open Database

Information card for entry 4110559

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Structure parameters

Formula	C28 H10 F8 S4
Calculated formula	C28 H10 F8 S4
SMILES	c1(ccc(c2c(c(F)c(c(c2F)F)c2sccc2)F)s1)c1ccc(c2c(c(c(c(F)c2F)c2sccc2)F)F)s1
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	6.258 ± 0.002 Å
b	5.0431 ± 0.0014 Å
c	36.618 ± 0.011 Å
α	90°
β	90.71 ± 0.03°
γ	90°
Cell volume	1155.6 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.086
Weighted residual factors for significantly intense reflections	0.2662
Weighted residual factors for all reflections included in the refinement	0.2722
Goodness-of-fit parameter for all reflections included in the refinement	1.293
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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