Crystallography Open Database

Information card for entry 4083602

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Structure parameters

Chemical name	(NE)-2,4,6-tris(pentafluorophenyl)-N-(3-{[2,4,6- tris(pentafluorophenyl)phenyl]imino}butan-2-ylidene)aniline
Formula	C52 H10 F30 N2
Calculated formula	C52 H10 F30 N2
SMILES	C/C(=N\c1c(cc(cc1c1c(F)c(c(c(c1F)F)F)F)c1c(F)c(F)c(F)c(c1F)F)c1c(F)c(F)c(F)c(F)c1F)/C(=N/c1c(cc(cc1c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C
Title of publication	Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis
Authors of publication	Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	12
Pages of publication	3012
a	7.9614 ± 0.0008 Å
b	12.4279 ± 0.0013 Å
c	12.8449 ± 0.0014 Å
α	98.275 ± 0.002°
β	96.412 ± 0.002°
γ	108.555 ± 0.002°
Cell volume	1175.4 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1217
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1736
Goodness-of-fit parameter for all reflections included in the refinement	1.185
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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