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Information card for entry 7712489
Preview
| Coordinates | 7712489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C91 H85 Cl3 N4 O2 |
|---|---|
| Calculated formula | C91 H85 Cl3 N4 O2 |
| Title of publication | Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions |
| Authors of publication | Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 25.8439 ± 0.0002 Å |
| b | 10.5505 ± 0.0001 Å |
| c | 28.3697 ± 0.0002 Å |
| α | 90° |
| β | 101.678 ± 0.001° |
| γ | 90° |
| Cell volume | 7575.34 ± 0.11 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281243 (current) | 2023-03-02 | cif/ Adding structures of 7712489, 7712490, 7712491, 7712492, 7712493, 7712494, 7712495, 7712496, 7712497 via cif-deposit CGI script. |
7712489.cif |
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Users of the data should acknowledge the original authors of the
structural data.