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Information card for entry 7058126
Preview
| Coordinates | 7058126.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 |
| Journal volume | 43 |
| Journal issue | 9 |
| Pages of publication | 3673 - 3689 |
| a | 15.871 ± 0.006 Å |
| b | 15.739 ± 0.008 Å |
| c | 15.215 ± 0.006 Å |
| α | 90° |
| β | 98.826 ± 0.004° |
| γ | 90° |
| Cell volume | 3756 ± 3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.2212 |
| Residual factor for significantly intense reflections | 0.1318 |
| Weighted residual factors for significantly intense reflections | 0.3853 |
| Weighted residual factors for all reflections included in the refinement | 0.4247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301442 (current) | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7058126.cif |
| 213309 | 2019-01-25 | cif/ Adding structures of 7058123, 7058124, 7058125, 7058126, 7058127, 7058128, 7058129 via cif-deposit CGI script. |
7058126.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.