Crystallography Open Database

Information card for entry 4111073

Preview

Coordinates	4111073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 F6 S3 Sb
Calculated formula	C24 H24 F6 S3 Sb
Title of publication	Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position
Authors of publication	Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	14470 - 14471
a	11.6808 ± 0.0017 Å
b	21.565 ± 0.003 Å
c	19.163 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4827.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178881 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10.	4111073.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111073.cif
60597	2012-06-15	cif/ Adding structures of 4111073 via cif-deposit CGI script.	4111073.cif