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Information card for entry 4085305
Preview
| Coordinates | 4085305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H58 K N O4 |
|---|---|
| Calculated formula | C37 H58 K N O4 |
| SMILES | [K]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[O-]c1c(/C=N/c2c(C(C)(C)C)cccc2)cc(cc1C(C)(C)C)C(C)(C)C |
| Title of publication | Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes |
| Authors of publication | García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 2 |
| Pages of publication | 477 |
| a | 11.372 ± 0.006 Å |
| b | 17.158 ± 0.01 Å |
| c | 20.651 ± 0.002 Å |
| α | 78.495 ± 0.015° |
| β | 83.256 ± 0.017° |
| γ | 72.24 ± 0.03° |
| Cell volume | 3753 ± 3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1456 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.1791 |
| Weighted residual factors for all reflections included in the refinement | 0.2119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4085305.cif |
| 187017 | 2016-10-07 | Fixing some Z values and formulae in K compounds. |
4085305.cif |
| 178742 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/53. |
4085305.cif |
| 130776 | 2015-02-04 | cif/ Updating files of 4085301, 4085302, 4085303, 4085304, 4085305, 4085306 Original log message: Adding full bibliography for 4085301--4085306.cif. |
4085305.cif |
| 129948 | 2015-01-17 | cif/ Adding structures of 4085301, 4085302, 4085303, 4085304, 4085305, 4085306 via cif-deposit CGI script. |
4085305.cif |
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Users of the data should acknowledge the original authors of the
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