Crystallography Open Database

Information card for entry 8000195

Preview

Coordinates	8000195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 N2 O S8
Calculated formula	C20 H23 N2 O S8
SMILES	S1CCSC2=C1SC(S2)=C1SC2=C(S1)SCC(S2)C1=CC([N](=O)C1(C)C)(C)C.N#CC
Title of publication	New π-Electron Donors with a 2,2,5,5-Tetramethylpyrrolin-1-yloxyl Radical Designed for Magnetic Molecular Conductors
Authors of publication	Fujiwara, Emiko; Aonuma, Shuji; Fujiwara, Hideki; Sugimoto, Toyonari; Misaki, Yohji
Journal of publication	Chemistry Letters
Year of publication	2008
Journal volume	37
Journal issue	1
Pages of publication	84
a	10.962 ± 0.005 Å
b	17.938 ± 0.007 Å
c	6.67 ± 0.004 Å
α	99.25 ± 0.04°
β	100.63 ± 0.04°
γ	87.81 ± 0.03°
Cell volume	1272.2 ± 1.1 Å³
Cell temperature	296.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000195.cif
94328	2014-01-22	cif/ Adding structures of 8000195 via cif-deposit CGI script.	8000195.cif