Information card for entry 7017108

Structure parameters

• Formula: C27 H39 Al N2 O2
• Calculated formula: C27 H39 Al N2 O2
• SMILES: [Al]123(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C[N]3(C)CC[N]1=Cc1c(O2)c(ccc1)C)C
• Title of publication: Salalen aluminium complexes and their exploitation for the ring opening polymerisation of rac-lactide.
• Authors of publication: Whitelaw, Emma L.; Loraine, Gaynor; Mahon, Mary F.; Jones, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11469 - 11473
• a: 9.7286 ± 0.0007 Å
• b: 12.5296 ± 0.001 Å
• c: 13.0282 ± 0.001 Å
• α: 110.181 ± 0.004°
• β: 109.51 ± 0.004°
• γ: 103.09 ± 0.005°
• Cell volume: 1296 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No