Crystallography Open Database

Information card for entry 7106043

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Structure parameters

Formula	C36 H25 F34 N3
Calculated formula	C36 H25 F34 N3
SMILES	N(=Nc1ccc(N(CC)CC)cc1)c1c(cc(cc1C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C)(C)C)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Title of publication	Highly Hydrophobic Polyfluorinated Azo Dyes Grafted on Surfaces
Authors of publication	Roger Soler; Jordi Salabert; Rosa Maria Sebastian; Adelina Vallribera; Neus Roma; Susagna Ricart; Elies Molins
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	2889
a	6.4735 ± 0.0013 Å
b	19.729 ± 0.006 Å
c	20.221 ± 0.009 Å
α	114.98 ± 0.03°
β	96.59 ± 0.02°
γ	97.04 ± 0.02°
Cell volume	2283.2 ± 1.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.3379
Residual factor for significantly intense reflections	0.1962
Weighted residual factors for significantly intense reflections	0.5129
Weighted residual factors for all reflections included in the refinement	0.5806
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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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