Crystallography Open Database

Information card for entry 7229853

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Structure parameters

Chemical name	pentafluoroaniline 18-crown-6 2:1 associate
Formula	C24 H28 F10 N2 O6
Calculated formula	C24 H28 F10 N2 O6
SMILES	c1(c(c(F)c(c(c1F)F)F)F)N.C1OCCOCCOCCOCCOCCOC1.c1(c(c(c(c(c1F)F)F)F)F)N
Title of publication	Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties
Authors of publication	Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	6
Pages of publication	807
a	9.2488 ± 0.0004 Å
b	9.8098 ± 0.0005 Å
c	9.8855 ± 0.0005 Å
α	105.139 ± 0.003°
β	105.804 ± 0.003°
γ	114.814 ± 0.002°
Cell volume	707.24 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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 all reflections	0.0805
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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