Crystallography Open Database

Information card for entry 7206556

7206555 << 7206556 >> 7206557

Preview

Coordinates	7206556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N2 O
Calculated formula	C18 H14 N2 O
SMILES	c1c(/C=N/c2ccccc2)oc(c1)/C=N/c1ccccc1
Title of publication	Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections
Authors of publication	Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5833
a	31.93 ± 0.008 Å
b	6.041 ± 0.002 Å
c	7.424 ± 0.001 Å
α	90°
β	97.04 ± 0.01°
γ	90°
Cell volume	1421.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
180396 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/65.	7206556.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206556.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206556.cif
28014	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206556, 7206557, 7206558 via cif-deposit CGI script.	7206556.cif