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Information card for entry 7713885
Preview
| Coordinates | 7713885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H53 Mg N3 O |
|---|---|
| Calculated formula | C37 H53 Mg N3 O |
| SMILES | [Mg]1([O]2CCCC2)(n2cccc2)N(C(C)=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)c1c(C(C)C)cccc1C(C)C |
| Title of publication | Atom economic access to cationic magnesium complexes |
| Authors of publication | Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 10.8131 ± 0.0001 Å |
| b | 19.017 ± 0.0003 Å |
| c | 17.3003 ± 0.0002 Å |
| α | 90° |
| β | 105.924 ± 0.001° |
| γ | 90° |
| Cell volume | 3420.99 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285958 (current) | 2023-09-02 | cif/ Adding structures of 7713882, 7713883, 7713884, 7713885, 7713886, 7713887, 7713888, 7713889 via cif-deposit CGI script. |
7713885.cif |
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