Crystallography Open Database

Information card for entry 7206558

7206557 << 7206558 >> 7206559

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Structure parameters

Formula	C18 H4 F10 N2 O
Calculated formula	C18 H4 F10 N2 O
SMILES	c1(ccc(/C=N/c2c(c(c(c(c2F)F)F)F)F)o1)/C=N/c1c(c(c(c(c1F)F)F)F)F
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	4.7787 ± 0.0002 Å
b	6.5029 ± 0.0004 Å
c	13.9073 ± 0.0005 Å
α	78.371 ± 0.003°
β	83.747 ± 0.003°
γ	87.099 ± 0.004°
Cell volume	420.6 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7206558.cif
180396	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.	7206558.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206558.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206558.cif
28014	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206556, 7206557, 7206558 via cif-deposit CGI script.	7206558.cif