Crystallography Open Database

Information card for entry 7233705

Preview

Coordinates	7233705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H24 S2
Calculated formula	C38 H24 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	13.5679 ± 0.0005 Å
b	7.0143 ± 0.0002 Å
c	14.302 ± 0.0007 Å
α	90°
β	103.954 ± 0.002°
γ	90°
Cell volume	1320.94 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7233705.html