Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2311567
Preview
| Coordinates | 2311567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-Phenylenebis(azanylylidene)]bis(methanylylidene)}bis(5-benzyloxy)phenol |
|---|---|
| Formula | C34 H28 N2 O4 |
| Calculated formula | C34 H28 N2 O4 |
| SMILES | c1cc(/N=C/c2c(cc(cc2)OCc2ccccc2)O)c(cc1)/N=C/c1c(cc(cc1)OCc1ccccc1)O |
| Title of publication | Crystal structure, Hirshfeld surface analysis and anti-oxidant capacity of 2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenyl-enebis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-(5-benz-yloxy)phenol. |
| Authors of publication | Ghichi, Nadir; Benboudiaf, Ali; DJebli, Yacine; Bensouici, Chawki; Merazig, Hocine |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | Pt 5 |
| Pages of publication | 682 - 686 |
| a | 35.297 ± 0.003 Å |
| b | 9.3902 ± 0.0006 Å |
| c | 8.3603 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2771 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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/2311567.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.