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Information card for entry 1558547
Preview
| Coordinates | 1558547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H47 Al N2 O |
|---|---|
| Calculated formula | C34 H47 Al N2 O |
| Title of publication | Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans |
| Authors of publication | Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 18.62 ± 0.004 Å |
| b | 8.9532 ± 0.0003 Å |
| c | 32.557 ± 0.007 Å |
| α | 90° |
| β | 144.73 ± 0.05° |
| γ | 90° |
| Cell volume | 3134 ± 4 Å3 |
| Cell temperature | 173 ± 0.14 K |
| Ambient diffraction temperature | 173 ± 0.14 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 | 0.0866 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254136 (current) | 2020-07-09 | cif/ Adding structures of 1558541, 1558542, 1558543, 1558544, 1558545, 1558546, 1558547 via cif-deposit CGI script. |
1558547.cif |
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Users of the data should acknowledge the original authors of the
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