Information card for entry 4325690

Structure parameters

• Formula: C40 H64 Al2 N2 O4
• Calculated formula: C40 H64 Al2 N2 O4
• Title of publication: Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes
• Authors of publication: Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6775 - 6787
• a: 32.81 ± 0.007 Å
• b: 20.945 ± 0.005 Å
• c: 17.91 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12308 ± 5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No