Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7059030
Preview
| Coordinates | 7059030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H20 N2 O2 |
|---|---|
| Calculated formula | C18 H20 N2 O2 |
| Title of publication | A model compound for pyridinechalcone-based multistate systems. Ring opening-closure as the slowest kinetic step of the multistate |
| Authors of publication | Camuenho, Ambrósio; Jorge Parola, A.; Alejo-Armijo, Alfonso; Pandian, Ramesh; Gomes, Clara S. B.; Laia, César A. T.; Pina, Fernando |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 46 |
| Pages of publication | 18229 - 18239 |
| a | 7.006 ± 0.0006 Å |
| b | 18.24 ± 0.0017 Å |
| c | 12.5016 ± 0.0011 Å |
| α | 90° |
| β | 97.953 ± 0.004° |
| γ | 90° |
| Cell volume | 1582.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1293 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1542 |
| Weighted residual factors for all reflections included in the refinement | 0.1706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059030.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7059030.cif |
| 225409 | 2019-11-09 | cif/ Adding structures of 7059030 via cif-deposit CGI script. |
7059030.cif |
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.