Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7031756
Preview
| Coordinates | 7031756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H34 N3 O6 P3 |
|---|---|
| Calculated formula | C40 H34 N3 O6 P3 |
| SMILES | N1=P(N=P(N=P1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1cc(ccc1)C(=O)OC)Oc1cc(ccc1)C(=O)OC |
| Title of publication | Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies. |
| Authors of publication | Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 13899 - 13912 |
| a | 9.767 ± 0.003 Å |
| b | 10.775 ± 0.003 Å |
| c | 19.152 ± 0.005 Å |
| α | 96.588 ± 0.005° |
| β | 104.136 ± 0.005° |
| γ | 104.661 ± 0.005° |
| Cell volume | 1857.1 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0966 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1609 |
| 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. |
7031756.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7031756.cif |
| 123468 | 2014-09-08 | cif/ Updating files of 7031756, 7031757, 7031758, 7031759, 7031760, 7031761, 7031762 Original log message: Adding full bibliography for 7031756--7031762.cif. |
7031756.cif |
| 120866 | 2014-07-29 | cif/ Adding structures of 7031756, 7031757, 7031758, 7031759, 7031760, 7031761, 7031762 via cif-deposit CGI script. |
7031756.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.