Information card for entry 4308664

Structure parameters

• Formula: C41 H57 Al N2 O3
• Calculated formula: C41 H57 Al N2 O3
• SMILES: [Al]123(Oc4c(cc(cc4C=[N]2CC[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C)C)C
• Title of publication: Aluminum Salen Complexes and Tetrabutylammonium Salts: A Binary Catalytic System for Production of Polycarbonates from CO2 and Cyclohexene Oxide
• Authors of publication: Donald J. Darensbourg; Damon R. Billodeaux
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1433 - 1442
• a: 10.004 ± 0.009 Å
• b: 14.185 ± 0.012 Å
• c: 15.389 ± 0.013 Å
• α: 115.006 ± 0.014°
• β: 96.996 ± 0.016°
• γ: 96.653 ± 0.017°
• Cell volume: 1930 ± 3 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: 0.075
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No