Crystallography Open Database

Information card for entry 7229852

Preview

Coordinates	7229852.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-aminoheptafluoronaphthalene 18-crown-6 2:1 associate
Formula	C32 H28 F14 N2 O6
Calculated formula	C32 H28 F14 N2 O6
SMILES	c1(F)c(N)c(F)c(F)c2c(F)c(F)c(F)c(F)c12.Nc1c(F)c2c(c(F)c1F)c(F)c(F)c(F)c2F.O1CCOCCOCCOCCOCCOCC1
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	8.5564 ± 0.0004 Å
b	12.4605 ± 0.0005 Å
c	17.046 ± 0.0007 Å
α	79.561 ± 0.002°
β	85.274 ± 0.002°
γ	71.155 ± 0.002°
Cell volume	1690.95 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0592
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7229852.cif
204720	2018-01-04	cif/ Adding structures of 7229852, 7229853, 7229854, 7229855, 7229856, 7229857 via cif-deposit CGI script.	7229852.cif