Information card for entry 7038459

Structure parameters

• Formula: C26 H39 Al N2 O
• Calculated formula: C26 H39 Al N2 O
• SMILES: [Al]12(Oc3c(cc(cc3C=[N]1CC1[NH]2CCCC1)C)C12CC3CC(C1)CC(C2)C3)(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: 7.4788 ± 0.0003 Å
• b: 14.4657 ± 0.0006 Å
• c: 21.7312 ± 0.0011 Å
• α: 90°
• β: 97.752 ± 0.004°
• γ: 90°
• Cell volume: 2329.53 ± 0.18 ų
• 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No