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Information card for entry 7038460
Preview
Coordinates | 7038460.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H57 Al N2 O2 |
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Calculated formula | C37 H57 Al N2 O2 |
SMILES | [Al]123(Oc4c(cc(cc4C[N]41CCCCC4C[N]3=Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C |
Title of publication | Aminopiperidine based complexes for lactide polymerisation. |
Authors of publication | McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 12 |
Pages of publication | 5374 - 5387 |
a | 17.646 ± 0.0007 Å |
b | 10.293 ± 0.0005 Å |
c | 19.41 ± 0.0008 Å |
α | 90° |
β | 93.839 ± 0.003° |
γ | 90° |
Cell volume | 3517.5 ± 0.3 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 | 0.1606 |
Residual factor for significantly intense reflections | 0.1175 |
Weighted residual factors for significantly intense reflections | 0.2944 |
Weighted residual factors for all reflections included in the refinement | 0.3381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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