Crystallography Open Database

Information card for entry 4110558

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Structure parameters

Formula	C28 H8 F10 S4
Calculated formula	C28 H8 F10 S4
SMILES	s1c(c2ccc(c3ccc(c4c(F)c(F)c(F)c(F)c4F)s3)s2)ccc1c1sc(cc1)c1c(F)c(F)c(F)c(F)c1F
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	6.3854 ± 0.0015 Å
b	7.6862 ± 0.0018 Å
c	12.502 ± 0.003 Å
α	89.412 ± 0.004°
β	78.66 ± 0.004°
γ	80.76 ± 0.004°
Cell volume	593.7 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.1096
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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