Crystallography Open Database

Information card for entry 4002736

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Structure parameters

Formula	C24 H28 S2
Calculated formula	C24 H28 S2
SMILES	c1c2c(ccc1CCCCC)c1c(s2)c2ccc(cc2s1)CCCCC
Title of publication	Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors
Authors of publication	Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	3
Pages of publication	1245
a	4.7594 Å
b	8.6807 Å
c	13.1142 Å
α	89.7304°
β	80.9378°
γ	77.6887°
Cell volume	522.511 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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