Information card for entry 7022519

Structure parameters

• Formula: C38 H59 Al N2 O2
• Calculated formula: C38 H59 Al N2 O2
• SMILES: [Al]123(Oc4c(cc(cc4C[N]1(C)[C@@H]1CCCC[C@H]1[N]3=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C.[Al]123(Oc4c(cc(cc4C[N]1(C)[C@H]1CCCC[C@@H]1[N]3=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C
• Title of publication: Aluminium salalen complexes based on 1,2-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide.
• Authors of publication: Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9279 - 9285
• a: 11.873 ± 0.0006 Å
• b: 10.656 ± 0.0007 Å
• c: 28.884 ± 0.0018 Å
• α: 90°
• β: 94.668 ± 0.005°
• γ: 90°
• Cell volume: 3642.2 ± 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: 0.2204
• Residual factor for significantly intense reflections: 0.1147
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No