Crystallography Open Database

Information card for entry 7206444

7206443 << 7206444 >> 7206445

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Coordinates	7206444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 S6
Calculated formula	C16 H18 S6.6
Title of publication	Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.
Authors of publication	Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2011
Journal volume	13
Journal issue	32
Pages of publication	14370 - 14377
a	18.922 ± 0.007 Å
b	17.118 ± 0.009 Å
c	6.284 ± 0.003 Å
α	90°
β	94.23 ± 0.03°
γ	90°
Cell volume	2029.9 ± 1.6 Å³
Cell temperature	293.1 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7206444.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206444.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206444.cif
27372	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7206442, 7206443, 7206444 via cif-deposit CGI script.	7206444.cif