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Information card for entry 7031760
Preview
| Coordinates | 7031760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H44 N5 O4 P3 |
|---|---|
| Calculated formula | C54 H44 N5 O4 P3 |
| SMILES | N1=P(N=P(N=P1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1ccc(cc1)C1=N[C@H](CO1)c1ccccc1)Oc1ccc(cc1)C1=N[C@H](CO1)c1ccccc1 |
| 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 | 10.764 ± 0.013 Å |
| b | 16.732 ± 0.017 Å |
| c | 13.314 ± 0.017 Å |
| α | 90° |
| β | 105.78 ± 0.02° |
| γ | 90° |
| Cell volume | 2308 ± 5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.092 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1513 |
| 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. |
7031760.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7031760.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. |
7031760.cif |
| 120866 | 2014-07-29 | cif/ Adding structures of 7031756, 7031757, 7031758, 7031759, 7031760, 7031761, 7031762 via cif-deposit CGI script. |
7031760.cif |
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