Information card for entry 4076522

Structure parameters

• Formula: C62 H67 Al N2 O3
• Calculated formula: C62 H67 Al N2 O3
• SMILES: [Al]123(Oc4c(cc(cc4C(c4ccccc4)(C)C)C(c4ccccc4)(C)C)C=[N]3CC(C[N]2=Cc2c(O1)c(cc(c2)C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)(C)C)OCc1ccccc1
• Title of publication: Preparation and Characterization of Aluminum Alkoxides Coordinated on salen-Type Ligands: Highly Stereoselective Ring-Opening Polymerization ofrac-Lactide
• Authors of publication: Chen, Hsiao-Li; Dutta, Saikat; Huang, Pei-Ying; Lin, Chu-Chieh
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 2016
• a: 12.3871 ± 0.0003 Å
• b: 17.3272 ± 0.0004 Å
• c: 24.7286 ± 0.0004 Å
• α: 93.665 ± 0.002°
• β: 103.91 ± 0.002°
• γ: 91.174 ± 0.002°
• Cell volume: 5137.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No