Crystallography Open Database

Information card for entry 7156167

Preview

Coordinates	7156167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 O2 S8
Calculated formula	C16 H14 O2 S8
Title of publication	An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.
Authors of publication	Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	15
Pages of publication	2741 - 2747
a	31.739 ± 0.003 Å
b	4.5314 ± 0.0004 Å
c	14.5044 ± 0.0012 Å
α	90°
β	101.228 ± 0.005°
γ	90°
Cell volume	2046.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0507
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230817 (current)	2019-11-17	cif/ Updating files of 7156166, 7156167 Original log message: Adding full bibliography for 7156166--7156167.cif.	7156167.cif
207055	2018-03-22	cif/ Adding structures of 7156166, 7156167 via cif-deposit CGI script.	7156167.cif