Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7058128
Preview
Coordinates | 7058128.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-butyl-4-(2-naphthyl)pyridinium iodide |
---|---|
Formula | C19 H20 I N |
Calculated formula | C19 H20 I N |
Title of publication | Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities |
Authors of publication | Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
a | 15.8562 ± 0.0003 Å |
b | 14.2979 ± 0.0003 Å |
c | 15.3748 ± 0.0003 Å |
α | 90° |
β | 102.969 ± 0.002° |
γ | 90° |
Cell volume | 3396.71 ± 0.12 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0429 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for significantly intense reflections | 0.0538 |
Weighted residual factors for all reflections included in the refinement | 0.0584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/7058128.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.