Information card for entry 1508551

Structure parameters

• Formula: C28 H36 Al2 N2 O4
• Calculated formula: C28 H36 Al2 N2 O4
• SMILES: [Al]123([O]([Al]45([O]1C[C@H]([N]5=C(C)C=C(O4)C)c1ccccc1)C)C[C@H]([N]3=C(C=C(O2)C)C)c1ccccc1)C
• Title of publication: Dual Catalyst System for Asymmetric Alternating Copolymerization of Carbon Dioxide and Cyclohexene Oxide with Chiral Aluminum Complexes: Lewis Base as Catalyst Activator and Lewis Acid as Monomer Activator
• Authors of publication: Nishioka, Kiyoshi; Goto, Hidetoshi; Sugimoto, Hiroshi
• Journal of publication: Macromolecules
• Year of publication: 2012
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8172
• a: 9.0425 ± 0.0015 Å
• b: 14.736 ± 0.002 Å
• c: 20.513 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2733.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.159
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.2644
• Weighted residual factors for all reflections included in the refinement: 0.2921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No