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Information card for entry 7054615
Preview
| Coordinates | 7054615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H11 Cl2 N O2 |
|---|---|
| Calculated formula | C14 H11 Cl2 N O2 |
| SMILES | ClC1=C/C(=C/NCc2c(O)cccc2)C(=O)C(=C1)Cl |
| Title of publication | Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA |
| Authors of publication | Forder, Thomas R.; Jones, Matthew D. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 3 |
| Pages of publication | 1974 |
| a | 8.041 ± 0.0005 Å |
| b | 8.647 ± 0.0006 Å |
| c | 18.742 ± 0.001 Å |
| α | 90° |
| β | 95.121 ± 0.004° |
| γ | 90° |
| Cell volume | 1297.94 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7054615.cif |
| 180100 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/46. |
7054615.cif |
| 133456 | 2015-03-06 | cif/ Updating files of 7054610, 7054611, 7054612, 7054613, 7054614, 7054615, 7054616 Original log message: Adding full bibliography for 7054610--7054616.cif. |
7054615.cif |
| 129415 | 2015-01-07 | cif/ Adding structures of 7054610, 7054611, 7054612, 7054613, 7054614, 7054615, 7054616 via cif-deposit CGI script. |
7054615.cif |
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Users of the data should acknowledge the original authors of the
structural data.