Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7220691
Preview
| Coordinates | 7220691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bis(4-butyloxyacetophenon)azine |
|---|---|
| Formula | C24 H28 N2 O4 |
| Calculated formula | C24 H28 N2 O4 |
| Title of publication | A topotactic transition in a liquid crystal compound |
| Authors of publication | Centore, Roberto; Capitolino, Valeria; Cerciello, Francesca; Tuzi, Angela; Borbone, Fabio; Carella, Antonio; Roviello, Antonio |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 46 |
| Pages of publication | 8864 |
| a | 6.155 ± 0.0019 Å |
| b | 7.64 ± 0.0018 Å |
| c | 23.508 ± 0.007 Å |
| α | 96.36 ± 0.03° |
| β | 91.92 ± 0.03° |
| γ | 94.01 ± 0.03° |
| Cell volume | 1095 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1056 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1608 |
| Weighted residual factors for all reflections included in the refinement | 0.1905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220691.cif |
| 173746 | 2016-01-09 | cif/ Updating files of 7220691 Original log message: Adding full bibliography for 7220691.cif. |
7220691.cif |
| 138449 | 2015-06-06 | cif/ Adding structures of 7220691 via cif-deposit CGI script. |
7220691.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.