Crystallography Open Database

Information card for entry 7060543

Preview

Coordinates	7060543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H10 F15 N3 O2
Calculated formula	C32 H10 F15 N3 O2
SMILES	c1(c(c2cc3c(cc2o1)c(c(/N=C/N(C)C)o3)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)/N=C/c1c(c(c(c(c1F)F)F)F)F
Title of publication	Preponderant role of pentafluorophenyl moieties for tuning the electronic properties of extended benzodifuran-azomethine derivatives
Authors of publication	Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	19
Pages of publication	8647 - 8653
a	11.334 ± 0.003 Å
b	12.585 ± 0.001 Å
c	12.741 ± 0.003 Å
α	69.48 ± 0.01°
β	66.48 ± 0.02°
γ	63.37 ± 0.01°
Cell volume	1456.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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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