Information card for entry 4308660

Structure parameters

• Formula: C38 H51 Al N2 O3
• Calculated formula: C38 H51 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)Oc1ccccc1
• 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: 11.608 ± 0.006 Å
• b: 11.909 ± 0.006 Å
• c: 15.176 ± 0.007 Å
• α: 111.451 ± 0.01°
• β: 109.693 ± 0.009°
• γ: 95.296 ± 0.009°
• Cell volume: 1781.9 ± 1.5 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: 0.0904
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No