Information card for entry 7017109

Structure parameters

• Formula: C30 H48 Al2 N2 O2
• Calculated formula: C30 H48 Al2 N2 O2
• SMILES: [Al]1(Oc2c(cccc2C=[N]1CC[N]1([Al](Oc2c(C1)cc(cc2C(C)(C)C)C(C)(C)C)(C)C)C)C)(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: 10.556 ± 0.0009 Å
• b: 10.718 ± 0.0011 Å
• c: 14.63 ± 0.0013 Å
• α: 75.586 ± 0.005°
• β: 72.438 ± 0.005°
• γ: 78.516 ± 0.006°
• Cell volume: 1514.6 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No