Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4076524
Preview
| Coordinates | 4076524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H86 Al2 N2 O2 |
|---|---|
| Calculated formula | C66 H86 Al2 N2 O2 |
| SMILES | [Al]1(Oc2c(cc(cc2C=[N]1[C@H]1CCCC[C@@H]1[N]1[Al](Oc2c(C=1)cc(cc2C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)(C)C)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)(C)C.CCCCCC.[Al]1(Oc2c(cc(cc2C=[N]1[C@@H]1CCCC[C@H]1[N]1[Al](Oc2c(C=1)cc(cc2C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)(C)C)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)(C)C.CCCCCC |
| 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 | 12.1106 ± 0.0004 Å |
| b | 13.2675 ± 0.0004 Å |
| c | 19.3795 ± 0.0006 Å |
| α | 79.073 ± 0.003° |
| β | 77.391 ± 0.003° |
| γ | 86.618 ± 0.002° |
| Cell volume | 2983.15 ± 0.17 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1554 |
| Weighted residual factors for all reflections included in the refinement | 0.1626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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. |
4076524.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076524.cif |
| 51991 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076522, 4076523, 4076524 via cif-deposit CGI script. |
4076524.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.