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Information card for entry 1549477
Preview
Coordinates | 1549477.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Dipp-BDIAlH(Ph) |
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Formula | C35 H47 Al N2 |
Calculated formula | C35 H47 Al N2 |
SMILES | [AlH]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1 |
Title of publication | Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity. |
Authors of publication | Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 24 |
Pages of publication | 5435 - 5440 |
a | 16.6858 ± 0.0014 Å |
b | 20.95 ± 0.002 Å |
c | 9.0089 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3149.2 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0844 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1258 |
Weighted residual factors for all reflections included in the refinement | 0.1371 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.699 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1549477.html
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