Crystallography Open Database

Information card for entry 4515429

Preview

Coordinates	4515429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 S4
Calculated formula	C14 H6 S4
SMILES	c1cc2c(c3cc4c(c5c(ccs5)s4)cc3s2)s1
Title of publication	Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.
Authors of publication	Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	12
Pages of publication	10262 - 10269
a	18.468 ± 0.008 Å
b	4.39 ± 0.003 Å
c	14.98 ± 0.006 Å
α	90°
β	96.04 ± 0.03°
γ	90°
Cell volume	1207.8 ± 1.1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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