Crystallography Open Database

Information card for entry 7233710

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Coordinates	7233710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 S2
Calculated formula	C38 H26 S2
Title of publication	Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives
Authors of publication	S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	4147 - 4155
a	11.518 ± 0.0006 Å
b	6.0678 ± 0.0003 Å
c	20.8427 ± 0.001 Å
α	90°
β	93.276 ± 0.003°
γ	90°
Cell volume	1454.29 ± 0.13 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 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	0.1057
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1454
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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