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Information card for entry 1560077
Preview
| Coordinates | 1560077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 Al N2 O4 |
|---|---|
| Calculated formula | C23 H29 Al N2 O4 |
| SMILES | COc1c2c(ccc1)C=[N]1CC(C)(C)C[N]3=Cc4cccc(c4O[Al]13(CC)O2)OC |
| Title of publication | Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide |
| Authors of publication | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 1737 - 1745 |
| a | 7.869 ± 0.0001 Å |
| b | 15.7511 ± 0.0002 Å |
| c | 17.6113 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2182.84 ± 0.05 Å3 |
| Cell temperature | 149.98 ± 0.18 K |
| Ambient diffraction temperature | 149.98 ± 0.18 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263610 (current) | 2021-04-05 | cif/ Updating files of 1560075, 1560076, 1560077 Original log message: Adding full bibliography for 1560075--1560077.cif. |
1560077.cif |
| 260924 | 2021-01-14 | cif/ Adding structures of 1560075, 1560076, 1560077 via cif-deposit CGI script. |
1560077.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.