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Information card for entry 1516157
Preview
| Coordinates | 1516157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H54 Al4 N2 O2 |
|---|---|
| Calculated formula | C31 H54 Al4 N2 O2 |
| Title of publication | Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) |
| Authors of publication | Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 9 |
| Pages of publication | 3025 |
| a | 7.1092 ± 0.0004 Å |
| b | 21.245 ± 0.0012 Å |
| c | 12.33 ± 0.0007 Å |
| α | 90° |
| β | 92.839 ± 0.002° |
| γ | 90° |
| Cell volume | 1859.98 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0538 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516157.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516157.cif |
| 121560 | 2014-08-08 | cif/ Updating files of 1516155, 1516156, 1516157 Original log message: Adding full bibliography for 1516155--1516157.cif. |
1516157.cif |
| 114030 | 2014-05-21 | cif/ Adding structures of 1516155, 1516156, 1516157 via cif-deposit CGI script. |
1516157.cif |
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Users of the data should acknowledge the original authors of the
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