Crystallography Open Database

Information card for entry 4029782

Preview

Coordinates	4029782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N4
Calculated formula	C22 H20 N4
Title of publication	Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.
Authors of publication	Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2008
Journal volume	4
Pages of publication	23
a	5.7578 ± 0.0003 Å
b	10.3819 ± 0.0004 Å
c	15.1645 ± 0.0007 Å
α	86.213 ± 0.002°
β	79.332 ± 0.003°
γ	84.967 ± 0.002°
Cell volume	886.24 ± 0.07 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178476 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97.	4029782.cif
120302	2014-07-14	cif/ Adding structures of 4029782 via cif-deposit CGI script.	4029782.cif