Information card for entry 7124949

Structure parameters

• Formula: C43 H61 Al N2 O3
• Calculated formula: C43 H61 Al N2 O3
• Title of publication: Aluminium salalens vs. salans: "Initiator Design" for the isoselective polymerisation of rac-lactide.
• Authors of publication: McKeown, Paul; Davidson, Matthew G.; Kociok-Köhn, Gabriele; Jones, Matthew D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 68
• Pages of publication: 10431 - 10434
• a: 10.9794 ± 0.0003 Å
• b: 14.2923 ± 0.0004 Å
• c: 15.1168 ± 0.0005 Å
• α: 115.692 ± 0.003°
• β: 100.605 ± 0.003°
• γ: 102.864 ± 0.002°
• Cell volume: 1974.85 ± 0.13 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: 0.0427
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No