Information card for entry 7124947

Structure parameters

• Formula: C33 H51 Al N2 O3
• Calculated formula: C33 H51 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: 12.1388 ± 0.0003 Å
• b: 19.0837 ± 0.0002 Å
• c: 14.1406 ± 0.0002 Å
• α: 90°
• β: 102.663 ± 0.002°
• γ: 90°
• Cell volume: 3196.04 ± 0.1 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: 0.0367
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No