Information card for entry 1506798

Structure parameters

• Formula: C37 H57 Al N2 O2
• Calculated formula: C37 H57 Al N2 O2
• SMILES: [Al]123(Oc4c(C=[N]2CC(C)(C)C[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)CC
• Title of publication: Stereoselective Polymerization ofrac-Lactide Using a Monoethylaluminum Schiff Base Complex
• Authors of publication: Tang, Zhaohui; Chen, Xuesi; Pang, Xuan; Yang, Yongkun; Zhang, Xuefei; Jing, Xiabin
• Journal of publication: Biomacromolecules
• Year of publication: 2004
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 965
• a: 10.135 ± 0.002 Å
• b: 17.391 ± 0.004 Å
• c: 20.788 ± 0.004 Å
• α: 90°
• β: 98.25 ± 0.03°
• γ: 90°
• Cell volume: 3626.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No