Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229853
Preview
Coordinates | 7229853.cif |
---|---|
Original paper (by DOI) | HTML |
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 Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7229853.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.