Information card for entry 7126600

Structure parameters

• Formula: C32 H49 Al N2 O2
• Calculated formula: C32 H49 Al N2 O2
• SMILES: [Al]123(Oc4c(cc(cc4[NH]1CC[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: Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.
• Authors of publication: Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 52
• Pages of publication: 7163 - 7166
• a: 9.6309 ± 0.0007 Å
• b: 11.5396 ± 0.0008 Å
• c: 15.2779 ± 0.001 Å
• α: 103.549 ± 0.006°
• β: 102.775 ± 0.006°
• γ: 98.081 ± 0.006°
• Cell volume: 1576.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0629
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No