Information card for entry 1505120

Structure parameters

• Formula: C21 H21 Al Cl4 N2 O2
• Calculated formula: C21 H21 Al Cl4 N2 O2
• SMILES: [Al]123(CC)[N](=Cc4c(c(cc(c4)Cl)Cl)O2)CC(C)(C)C[N]1=Cc1c(c(cc(c1)Cl)Cl)O3
• Title of publication: Polymerization ofrac-Lactide Using Schiff Base Aluminum Catalysts: Structure, Activity, and Stereoselectivity
• Authors of publication: Du, Hongzhi; Pang, Xuan; Yu, Haiyang; Zhuang, Xiuli; Chen, Xuesi; Cui, Dongmei; Wang, Xianhong; Jing, Xiabin
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 1904
• a: 11.3955 ± 0.0008 Å
• b: 17.6046 ± 0.0011 Å
• c: 11.5904 ± 0.0008 Å
• α: 90°
• β: 99.763 ± 0.001°
• γ: 90°
• Cell volume: 2291.5 ± 0.3 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No