Crystallography Open Database

Information card for entry 4110561

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Structure parameters

Formula	C24 H6 F10 S3
Calculated formula	C24 H6 F10 S3
SMILES	s1c(c2c(F)c(F)c(F)c(F)c2F)ccc1c1sc(cc1)c1sc(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	12.295 ± 0.004 Å
b	6.06 ± 0.002 Å
c	28.043 ± 0.01 Å
α	90°
β	90.14 ± 0.03°
γ	90°
Cell volume	2089.4 ± 1.2 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	0.0684
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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