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Information card for entry 1550407
Preview
| Coordinates | 1550407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H50 Al N2 |
|---|---|
| Calculated formula | C38 H50 Al N2 |
| SMILES | [AlH]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)C/C=C/c1ccccc1 |
| Title of publication | Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex |
| Authors of publication | Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.227 ± 0.0004 Å |
| b | 14.6841 ± 0.0006 Å |
| c | 21.0838 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3475.8 ± 0.2 Å3 |
| Cell temperature | 172.95 ± 0.1 K |
| Ambient diffraction temperature | 172.95 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.867 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212908 (current) | 2019-01-11 | cif/ Adding structures of 1550403, 1550404, 1550405, 1550406, 1550407, 1550408 via cif-deposit CGI script. |
1550407.cif |
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Users of the data should acknowledge the original authors of the
structural data.