Crystallography Open Database

Information card for entry 7151199

Preview

Coordinates	7151199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 N6
Calculated formula	C15 H26 N6
Title of publication	Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.
Authors of publication	Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2007
Journal volume	5
Journal issue	24
Pages of publication	3909 - 3911
a	8.689 ± 0.0005 Å
b	8.689 ± 0.0005 Å
c	17.1794 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	1123.25 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
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
180297 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/11.	7151199.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151199.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151199.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7151199.cif