Information card for entry 4084562

Structure parameters

• Formula: C50 H82 Al2 N2 O4
• Calculated formula: C50 H82 Al2 N2 O4
• SMILES: C[Al]1(C)[N](Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)(C)c1cccc(c1)[N]1(Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O[Al]1(C)C)C.O1CCCC1.O1CCCC1
• 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: 25.582 ± 0.004 Å
• b: 12.1873 ± 0.0018 Å
• c: 19.944 ± 0.003 Å
• α: 90°
• β: 125.997 ± 0.003°
• γ: 90°
• Cell volume: 5030.7 ± 1.3 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 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: 0.1785
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No