Information card for entry 4120667

Structure parameters

• Formula: C29 H39 Al Cl2 N2 O2
• Calculated formula: C29 H39 Al Cl2 N2 O2
• SMILES: Clc1cc2c(O[Al]34(Oc5c(cc(C(C)(C)C)cc5C(C)(C)C)C=[N]3C[C@@H]3[N]4(C2)CCC3)CC)c(Cl)c1
• Title of publication: Gradient Isotactic Multiblock Polylactides from Aluminum Complexes of Chiral Salalen Ligands.
• Authors of publication: Pilone, Alessia; Press, Konstantin; Goldberg, Israel; Kol, Moshe; Mazzeo, Mina; Lamberti, Marina
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 8
• Pages of publication: 2940
• a: 10.136 ± 0.0006 Å
• b: 10.9801 ± 0.0009 Å
• c: 25.322 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2818.2 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No