Crystallography Open Database

Information card for entry 4104319

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Structure parameters

Formula	C36 H4 Cl4 F10 N2 O4
Calculated formula	C36 H4 Cl4 F10 N2 O4
SMILES	N1(C(=O)c2c3c(C1=O)cc(c1c3c(c(c2)Cl)c2c(cc3C(=O)N(C(=O)c4c3c2c1c(Cl)c4)c1c(F)c(F)c(F)c(F)c1F)Cl)Cl)c1c(F)c(F)c(F)c(F)c1F
Title of publication	High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors
Authors of publication	Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	6215 - 6228
a	11.7846 ± 0.0011 Å
b	12.0337 ± 0.0013 Å
c	13.2301 ± 0.0011 Å
α	103.663 ± 0.003°
β	100.758 ± 0.003°
γ	117.633 ± 0.003°
Cell volume	1516.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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