Information card for entry 7124948

Structure parameters

• Formula: C38 H61 Al N2 O2
• Calculated formula: C38 H61 Al N2 O2
• 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: 13.8779 ± 0.0012 Å
• b: 13.002 ± 0.0001 Å
• c: 20.8532 ± 0.0016 Å
• α: 90°
• β: 98.2288 ± 0.0008°
• γ: 90°
• Cell volume: 3724 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.107
• 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: Yes
• Has Fobs: No