Crystallography Open Database

Information card for entry 4508357

Preview

Coordinates	4508357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 S2
Calculated formula	C18 H10 S2
Title of publication	syn-/anti-Anthradithiophene Derivative Isomer Effects on Semiconducting Properties.
Authors of publication	Mamada, Masashi; Katagiri, Hiroshi; Mizukami, Makoto; Honda, Kota; Minamiki, Tsukuru; Teraoka, Ryo; Uemura, Taisuke; Tokito, Shizuo
Journal of publication	ACS applied materials & interfaces
Year of publication	2013
Journal volume	5
Journal issue	19
Pages of publication	9670 - 9677
a	5.8865 ± 0.0008 Å
b	7.5079 ± 0.001 Å
c	14.347 ± 0.002 Å
α	96.106 ± 0.004°
β	94.285 ± 0.004°
γ	90.414 ± 0.004°
Cell volume	628.64 ± 0.15 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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	0.1073
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.2374
Weighted residual factors for all reflections included in the refinement	0.2423
Goodness-of-fit parameter for all reflections included in the refinement	1.253
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179619 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/83.	4508357.cif
89668	2013-11-10	cif/ Adding structures of 4508357, 4508358 via cif-deposit CGI script.	4508357.cif