Crystallography Open Database

Information card for entry 7052998

Preview

Coordinates	7052998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H6 F10 N4 O
Calculated formula	C24 H6 F10 N4 O
SMILES	c1c(/C=C(C#N)/C=N/c2c(c(F)c(F)c(F)c2F)F)oc(c1)/C=C(\C#N)/C=N/c1c(c(F)c(F)c(F)c1F)F
Title of publication	Synthesis, electronic properties and packing modes of conjugated systems based on 2,5-di(cyanovinyl)furan or thiophene and imino-perfluorophenyl moieties
Authors of publication	Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	2
Pages of publication	409
a	36.916 ± 0.009 Å
b	6.298 ± 0.0007 Å
c	9.662 ± 0.002 Å
α	90°
β	101.03 ± 0.02°
γ	90°
Cell volume	2204.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0581
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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

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