Information card for entry 1520581

Structure parameters

• Formula: C27 H37 Al N2 O2
• Calculated formula: C27 H37 Al N2 O2
• SMILES: [Al]123(Oc4c(cc(cc4C[N]41CCC[C@@H]4[C@@H]1[N]3(CCC1)Cc1cc(cc(c1O2)C)C)C)C)C
• Title of publication: Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide
• Authors of publication: Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 5034
• a: 9.9462 ± 0.0012 Å
• b: 10.3018 ± 0.0011 Å
• c: 12.8708 ± 0.0015 Å
• α: 90°
• β: 108.547 ± 0.014°
• γ: 90°
• Cell volume: 1250.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No