Information card for entry 7127395

Structure parameters

• Formula: C56 H59 Al N2 O3
• Calculated formula: C56 H59 Al N2 O3
• SMILES: [Al]123(Oc4c(cccc4C[N]41CCC[C@@H]4[C@H]1CCC[N]21CC(c1ccccc1)(c1ccccc1)O3)c1ccccc1)OCc1ccccc1.c1(ccccc1)C.Cc1ccccc1
• Title of publication: Aluminium complexes of salanol ligands: coordination chemistry and stereoselective lactide polymerization.
• Authors of publication: Hador, Rami; Lipstman, Sophia; Rescigno, Raffaella; Venditto, Vincenzo; Kol, Moshe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 88
• Pages of publication: 13528 - 13531
• a: 10.2589 ± 0.0004 Å
• b: 10.8028 ± 0.0004 Å
• c: 11.3273 ± 0.0004 Å
• α: 100.728 ± 0.002°
• β: 97.616 ± 0.002°
• γ: 109.85 ± 0.002°
• Cell volume: 1133.8 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No