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Information card for entry 1558545
Preview
| Coordinates | 1558545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H110 Al2 N4 O4 |
|---|---|
| Calculated formula | C75 H110 Al2 N4 O4 |
| 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 | 13.6025 ± 0.0008 Å |
| b | 17.2522 ± 0.001 Å |
| c | 17.7358 ± 0.0009 Å |
| α | 108.504 ± 0.005° |
| β | 93.588 ± 0.005° |
| γ | 112.988 ± 0.006° |
| Cell volume | 3549.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 0.14 K |
| Ambient diffraction temperature | 173 ± 0.14 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1127 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1668 |
| Weighted residual factors for all reflections included in the refinement | 0.1886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1558545.cif |
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Users of the data should acknowledge the original authors of the
structural data.