Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039523
Preview
| Coordinates | 7039523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H18 N2 O |
|---|---|
| Calculated formula | C28 H18 N2 O |
| SMILES | Oc1c(c2c(cc1)cccc2)/C=N/N=C/c1c2c3c4c(cccc4cc2)ccc3cc1 |
| Title of publication | Dual mode selective chemosensor for copper and fluoride ions: a fluorometric, colorimetric and theoretical investigation. |
| Authors of publication | Ghosh, Soumen; Ganguly, Aniruddha; Uddin, Md Raihan; Mandal, Sukhendu; Alam, Md Akhtarul; Guchhait, Nikhil |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 27 |
| Pages of publication | 11042 - 11051 |
| a | 9.705 ± 0.003 Å |
| b | 16.342 ± 0.005 Å |
| c | 12.564 ± 0.004 Å |
| α | 90° |
| β | 95.886 ± 0.013° |
| γ | 90° |
| Cell volume | 1982.1 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.212 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.1807 |
| Weighted residual factors for all reflections included in the refinement | 0.2518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039523.cif |
| 185410 | 2016-08-07 | cif/ Updating files of 7039523 Original log message: Adding full bibliography for 7039523.cif. |
7039523.cif |
| 183401 | 2016-06-11 | cif/ Adding structures of 7039523 via cif-deposit CGI script. |
7039523.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.