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Information card for entry 1520581
Preview
Coordinates | 1520581.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H37 Al N2 O2 |
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Calculated formula | C27 H37 Al N2 O2 |
SMILES | [Al]123(Oc4c(cc(cc4C[N]41CCC[C@@H]4[C@@H]1[N]3(CCC1)Cc1cc(cc(c1O2)C)C)C)C)C |
Title of publication | Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide |
Authors of publication | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 8 |
Pages of publication | 5034 |
a | 9.9462 ± 0.0012 Å |
b | 10.3018 ± 0.0011 Å |
c | 12.8708 ± 0.0015 Å |
α | 90° |
β | 108.547 ± 0.014° |
γ | 90° |
Cell volume | 1250.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0463 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0828 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1520581.html
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