Crystallography Open Database

Information card for entry 7053009

Preview

Coordinates	7053009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H10 O2 S
Calculated formula	C20 H10 O2 S
Title of publication	Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics
Authors of publication	Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	3
Pages of publication	601
a	11.7261 ± 0.0007 Å
b	6.3804 ± 0.0004 Å
c	19.3742 ± 0.0012 Å
α	90°
β	90.906 ± 0.002°
γ	90°
Cell volume	1449.34 ± 0.15 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180084 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053009.cif
75561	2013-03-10	cif/ Adding structures of 7053009, 7053010 via cif-deposit CGI script.	7053009.cif