Crystallography Open Database

Information card for entry 7105493

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Coordinates	7105493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H10 N4 S4
Calculated formula	C22 H10 N4 S4
Title of publication	Dithienylbenzobis(thiadiazole) based organic semiconductors with low LUMO levels and narrow energy gaps
Authors of publication	Kono, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	19
Pages of publication	3265 - 3267
a	7.094 ± 0.0003 Å
b	13.9197 ± 0.0005 Å
c	18.7501 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1851.5 ± 0.14 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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