Crystallography Open Database

Information card for entry 7229857

Preview

Coordinates	7229857.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,3,5,6-tetrafluoroaniline and 18-crown-6 2:1 associate
Formula	C24 H30 F8 N2 O6
Calculated formula	C24 H30 F8 N2 O6
SMILES	c1(c(F)cc(c(c1N)F)F)F.C1OCCOCCOCCOCCOCCOC1.c1(c(c(cc(c1F)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	8.5736 ± 0.0003 Å
b	9.9242 ± 0.0004 Å
c	10.1058 ± 0.0005 Å
α	117.412 ± 0.002°
β	103.573 ± 0.002°
γ	100.167 ± 0.002°
Cell volume	700.49 ± 0.06 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 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	0.0658
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229007 (current)	2019-11-17	cif/ Updating files of 7229852, 7229853, 7229854, 7229855, 7229856, 7229857 Original log message: Adding full bibliography for 7229852--7229857.cif.	7229857.cif
204720	2018-01-04	cif/ Adding structures of 7229852, 7229853, 7229854, 7229855, 7229856, 7229857 via cif-deposit CGI script.	7229857.cif