Crystallography Open Database

Information card for entry 7052405

Preview

Coordinates	7052405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H100 F6 N8 O8 S2
Calculated formula	C54 H100 F6 N8 O7.98 S2
Title of publication	One-electron oxidation-induced dimerising C?C coupling of a 2,5-diamino-1,4-benzoquinonediimine: a chemical and electrochemical investigation
Authors of publication	Taquet, Jean-philippe; Siri, Olivier; Collin, Jean-Paul; Messaoudi, Abdellatif; Braunstein, Pierre
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	1
Pages of publication	188
a	12.303 ± 0.0003 Å
b	17.02 ± 0.0004 Å
c	16.877 ± 0.0006 Å
α	90°
β	96.651 ± 0.0011°
γ	90°
Cell volume	3510.21 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2167
Residual factor for significantly intense reflections	0.1451
Weighted residual factors for significantly intense reflections	0.382
Weighted residual factors for all reflections included in the refinement	0.4187
Goodness-of-fit parameter for all reflections included in the refinement	1.33
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180078 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/24.	7052405.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052405.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052405.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052405.cif