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Information card for entry 4086334
Preview
Coordinates | 4086334.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H49 Al N2 O |
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Calculated formula | C33 H49 Al N2 O |
SMILES | [Al]12(OCCCC1)[N](=C(C=C(N2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Transition Metal-like Oxidative Addition of C‒F and C‒O Bonds to an Aluminum(I) Center |
Authors of publication | Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Nikonov, Georgii I. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 22 |
Pages of publication | 5363 |
a | 10.9788 ± 0.0002 Å |
b | 12.4374 ± 0.0003 Å |
c | 22.7307 ± 0.0005 Å |
α | 90° |
β | 98.937 ± 0.001° |
γ | 90° |
Cell volume | 3066.14 ± 0.11 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0528 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.1132 |
Weighted residual factors for all reflections included in the refinement | 0.1219 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4086334.html
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