Crystallography Open Database

Information card for entry 4111074

Preview

Coordinates	4111074.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	11.7896 ± 0.0013 Å
b	21.747 ± 0.002 Å
c	19.296 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4947.3 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.147
Residual factor for significantly intense reflections	0.128
Weighted residual factors for significantly intense reflections	0.2471
Weighted residual factors for all reflections included in the refinement	0.2553
Goodness-of-fit parameter for all reflections included in the refinement	1.413
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.	4111074.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111074.cif
60598	2012-06-15	cif/ Adding structures of 4111074 via cif-deposit CGI script.	4111074.cif