Crystallography Open Database

Information card for entry 4514065

Preview

Coordinates	4514065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 O3 S2
Calculated formula	C18 H10 O3 S2
SMILES	s1ccc2sc(cc12)C(=O)c1cc2ccccc2cc1C(=O)O
Title of publication	Asymmetric Alkylthienyl Thienoacenes Derived from Anthra[2,3-b]thieno[2,3-d]thiophene for Solution-Processable Organic Semiconductors.
Authors of publication	Ogawa, Yuta; Yamamoto, Kazuhiro; Miura, Chiyo; Tamura, Shigeki; Saito, Mitsuki; Mamada, Masashi; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	11
Pages of publication	9902 - 9909
a	5.4841 ± 0.0001 Å
b	12.2105 ± 0.0003 Å
c	12.4889 ± 0.0003 Å
α	63.407 ± 0.002°
β	84.94 ± 0.002°
γ	89.691 ± 0.002°
Cell volume	744.37 ± 0.03 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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