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Information card for entry 7031757
Preview
| Coordinates | 7031757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H30 N3 O6.5 P3 |
|---|---|
| Calculated formula | C38 H30 N3 O6.5 P3 |
| SMILES | O.c1(cc(ccc1)C(=O)O)OP1(=NP(=NP(=N1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cc(ccc1)C(=O)O |
| 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 | 31.053 ± 0.009 Å |
| b | 13.909 ± 0.004 Å |
| c | 20.169 ± 0.006 Å |
| α | 90° |
| β | 125.053 ± 0.005° |
| γ | 90° |
| Cell volume | 7131 ± 4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1183 |
| Residual factor for significantly intense reflections | 0.0685 |
| Weighted residual factors for significantly intense reflections | 0.156 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7031757.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7031757.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. |
7031757.cif |
| 120866 | 2014-07-29 | cif/ Adding structures of 7031756, 7031757, 7031758, 7031759, 7031760, 7031761, 7031762 via cif-deposit CGI script. |
7031757.cif |
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Users of the data should acknowledge the original authors of the
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