Information card for entry 1505122

Structure parameters

• Formula: C18 H15 Al Cl4 N2 O2
• Calculated formula: C18 H15 Al Cl4 N2 O2
• SMILES: [Al]123([N](=Cc4cc(Cl)cc(Cl)c4O2)CC[N]1=Cc1cc(Cl)cc(Cl)c1O3)CC
• 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: 13.4404 ± 0.001 Å
• b: 14.5891 ± 0.001 Å
• c: 10.7266 ± 0.0008 Å
• α: 90°
• β: 112.879 ± 0.001°
• γ: 90°
• Cell volume: 1937.8 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No