Crystallography Open Database

Information card for entry 7206785

7206784 << 7206785 >> 7206786

Preview

Coordinates	7206785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 S3
Calculated formula	C24 H16 S3
SMILES	s1c(/C=C/c2ccccc2)cc2c1sc1sc(cc21)/C=C/c1ccccc1
Title of publication	Organic semiconductors based on annelated β-oligothiophenes and its application for organic field-effect transistors
Authors of publication	Shi, Jianwu; Li, Yabo; Jia, Ming; Xu, Li; Wang, Hua
Journal of publication	Journal of Materials Chemistry
Year of publication	2011
Journal volume	21
Journal issue	44
Pages of publication	17612
a	7.5473 ± 0.0019 Å
b	5.8673 ± 0.0015 Å
c	21.88 ± 0.006 Å
α	90°
β	95.38 ± 0.004°
γ	90°
Cell volume	964.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0479
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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