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Information card for entry 1550408
Preview
Coordinates | 1550408.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H90 Al2 N4 |
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Calculated formula | C62 H90 Al2 N4 |
SMILES | [Al]12([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)CC[Al]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)CC2 |
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 | 24.6053 ± 0.0003 Å |
b | 15.38681 ± 0.00019 Å |
c | 14.82658 ± 0.00016 Å |
α | 90° |
β | 96.6729 ± 0.0011° |
γ | 90° |
Cell volume | 5575.27 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0472 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.1058 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1550408.html
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