Information card for entry 4084564

Structure parameters

• Formula: C47 H66 Al2 N2 O2
• Calculated formula: C47 H66 Al2 N2 O2
• SMILES: [Al]1([N](=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)c1cc([N]2[Al](Oc3c(C=2)cc(cc3C(C)(C)C)C(C)(C)C)(C)C)ccc1)(C)C.Cc1ccccc1
• Title of publication: Copolymerization of ε-Caprolactone andl-Lactide Catalyzed by Multinuclear Aluminum Complexes: An Immortal Approach
• Authors of publication: Li, Lei; Liu, Bo; Liu, Dongtao; Wu, Chunji; Li, Shihui; Liu, Bo; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6474
• a: 32.4929 ± 0.0019 Å
• b: 12.8964 ± 0.0008 Å
• c: 24.6911 ± 0.0015 Å
• α: 90°
• β: 112.123 ± 0.001°
• γ: 90°
• Cell volume: 9584.9 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No