Information card for entry 7017110

Structure parameters

• Formula: C26 H35 Al Cl2 N2 O2
• Calculated formula: C26 H35 Al Cl2 N2 O2
• SMILES: Clc1c2O[Al]34(Oc5c(cc(cc5C(C)(C)C)C(C)(C)C)C[N]4(C)CC[N]3=Cc2cc(Cl)c1)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: 9.708 ± 0.004 Å
• b: 9.824 ± 0.004 Å
• c: 15.27 ± 0.004 Å
• α: 82.591 ± 0.015°
• β: 75.027 ± 0.016°
• γ: 72.308 ± 0.017°
• Cell volume: 1338.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No