Crystallography Open Database

Information card for entry 1507659

Preview

Coordinates	1507659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 O4 S4
Calculated formula	C20 H14 O4 S4
Title of publication	Electrochemical Generation and Spectroscopic Characterization of Charge Carriers within Isolated Planar Polythiophene
Authors of publication	Shomura, Ryo; Sugiyasu, Kazunori; Yasuda, Takeshi; Sato, Akira; Takeuchi, Masayuki
Journal of publication	Macromolecules
Year of publication	2012
Journal volume	45
Journal issue	9
Pages of publication	3759
a	8.298 ± 0.008 Å
b	10.14 ± 0.01 Å
c	11.904 ± 0.012 Å
α	71.983 ± 0.015°
β	82.531 ± 0.015°
γ	89.837 ± 0.015°
Cell volume	943.7 ± 1.6 Å³
Cell temperature	393 ± 2 K
Ambient diffraction temperature	393 ± 2 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	0.0419
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507659.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507659.cif
59762	2012-06-13	cif/ Adding structures of 1507659 via cif-deposit CGI script.	1507659.cif