Information card for entry 7038458

Structure parameters

• Formula: C17 H27 Al N2 O
• Calculated formula: C17 H27 Al N2 O
• SMILES: [Al]12(Oc3c(cc(cc3C=[N]2CC2[NH]1CCCC2)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: 19.9805 ± 0.0011 Å
• b: 8.6659 ± 0.0005 Å
• c: 20.6358 ± 0.0014 Å
• α: 90°
• β: 107.033 ± 0.006°
• γ: 90°
• Cell volume: 3416.3 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2669
• Weighted residual factors for all reflections included in the refinement: 0.2973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No