Crystallography Open Database

Information card for entry 7106519

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Structure parameters

Formula	C26 H16 O2 S2
Calculated formula	C26 H16 O2 S2
SMILES	s1c2c3c4c5c(ccc4)c(OC)c(OC)c4c5c(ccc4)c3c3sccc3c2cc1
Title of publication	Asymmetric pyrene derivatives for organic field-effect transistors
Authors of publication	Lukas Zophel; Dirk Beckmann; Volker Enkelmann; Dennis Chercka; Ralph Rieger; Klaus Mullen
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	6960
a	46.72 ± 0.001 Å
b	4.2924 ± 0.0001 Å
c	18.906 ± 0.0007 Å
α	90°
β	101.003 ± 0.0015°
γ	90°
Cell volume	3721.74 ± 0.18 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for all reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.0464
Goodness-of-fit parameter for all reflections included in the refinement	1.0965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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