Crystallography Open Database

Information card for entry 7233711

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Coordinates	7233711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 N2 O4
Calculated formula	C42 H26 N2 O4
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	15.0983 ± 0.0003 Å
b	7.1706 ± 0.0002 Å
c	14.2489 ± 0.0005 Å
α	90°
β	100.616 ± 0.001°
γ	90°
Cell volume	1516.24 ± 0.07 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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