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Information card for entry 7118010
Preview
| Coordinates | 7118010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H47 Al N2 O |
|---|---|
| Calculated formula | C37 H47 Al N2 O |
| SMILES | [Al]12([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)Oc1ccccc1C=C2 |
| Title of publication | Oxidative addition of carbon-fluorine and carbon-oxygen bonds to Al(I) |
| Authors of publication | Mark R. Crimmin; Michael J. Butler; Andrew J. P. White |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 15994 |
| a | 16.8019 ± 0.0004 Å |
| b | 12.4929 ± 0.0003 Å |
| c | 15.8089 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3318.36 ± 0.14 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 169760 (current) | 2015-10-27 | cif/ Adding structures of 7118009, 7118010 via cif-deposit CGI script. |
7118010.cif |
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Users of the data should acknowledge the original authors of the
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