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Information card for entry 4076522
Preview
| Coordinates | 4076522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H67 Al N2 O3 |
|---|---|
| Calculated formula | C62 H67 Al N2 O3 |
| SMILES | [Al]123(Oc4c(cc(cc4C(c4ccccc4)(C)C)C(c4ccccc4)(C)C)C=[N]3CC(C[N]2=Cc2c(O1)c(cc(c2)C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)(C)C)OCc1ccccc1 |
| Title of publication | Preparation and Characterization of Aluminum Alkoxides Coordinated on salen-Type Ligands: Highly Stereoselective Ring-Opening Polymerization ofrac-Lactide |
| Authors of publication | Chen, Hsiao-Li; Dutta, Saikat; Huang, Pei-Ying; Lin, Chu-Chieh |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 5 |
| Pages of publication | 2016 |
| a | 12.3871 ± 0.0003 Å |
| b | 17.3272 ± 0.0004 Å |
| c | 24.7286 ± 0.0004 Å |
| α | 93.665 ± 0.002° |
| β | 103.91 ± 0.002° |
| γ | 91.174 ± 0.002° |
| Cell volume | 5137.9 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0699 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178654 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/65. |
4076522.cif |
| 93859 | 2014-01-18 | cif/4: Small fixes, mostly wrong Z-values/formulae. |
4076522.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076522.cif |
| 51991 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076522, 4076523, 4076524 via cif-deposit CGI script. |
4076522.cif |
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