Crystallography Open Database

Information card for entry 7229855

Preview

Coordinates	7229855.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-cyano-2,3,5,6-tetrafluoroaniline 18-crown-6 2:1 associate
Formula	C26 H28 F8 N4 O6
Calculated formula	C26 H27.532 F8 N4 O6
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	14.55 ± 0.012 Å
b	11.592 ± 0.012 Å
c	34.58 ± 0.03 Å
α	90°
β	90.11 ± 0.03°
γ	90°
Cell volume	5832 ± 9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1935
Residual factor for significantly intense reflections	0.151
Weighted residual factors for significantly intense reflections	0.4463
Weighted residual factors for all reflections included in the refinement	0.4817
Goodness-of-fit parameter for all reflections included in the refinement	1.903
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7229855.cif
204720	2018-01-04	cif/ Adding structures of 7229852, 7229853, 7229854, 7229855, 7229856, 7229857 via cif-deposit CGI script.	7229855.cif