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Information card for entry 1512018
Preview
| Coordinates | 1512018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (N,N-Bis(3,5-di-tert-butyl-2-benzyloxy)-2-(2-aminoethoxy)ethoxy)aluminum [(tBu-SalAmEE)Al] |
|---|---|
| Formula | C34 H52 Al N O4 |
| Calculated formula | C34 H52 Al N O4 |
| SMILES | [Al]1234Oc5c(C[N]4(CC[O]3CCO2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)cc(C(C)(C)C)cc5C(C)(C)C |
| Title of publication | Lactide Cyclopolymerization Kinetics, X-ray Structure, and Solution Dynamics of (tBu-SalAmEE)Al and a Cautionary Tale Of Polymetalate Formation |
| Authors of publication | Reisberg, Solomon H.; Hurley, Harry J.; Mathers, Robert T.; Tanski, Joseph M.; Getzler, Yutan D. Y. L. |
| Journal of publication | Macromolecules |
| Year of publication | 2013 |
| Journal volume | 46 |
| Journal issue | 9 |
| Pages of publication | 3273 |
| a | 14.8694 ± 0.0009 Å |
| b | 14.9782 ± 0.001 Å |
| c | 16.7758 ± 0.0011 Å |
| α | 102.749 ± 0.001° |
| β | 113.644 ± 0.001° |
| γ | 93.72 ± 0.001° |
| Cell volume | 3288.7 ± 0.4 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 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 | 0.1645 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1512018.cif |
| 131993 | 2015-02-19 | cif/1/51/20/ (antanas@koala.ibt.lt) Removing extra 'glued' text from '_refine_diff_density_rms' tag value for CIF 1512018. |
1512018.cif |
| 91928 | 2013-12-27 | cif/1/51/ (saulius@koala.ibt.lt) Correcting bibliography in '20/1512018.cif' and '20/1512019.cif'. |
1512018.cif |
| 87169 | 2013-07-14 | cif/ Adding structures of 1512018, 1512019 via cif-deposit CGI script. |
1512018.cif |
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