Information card for entry 1505118

Structure parameters

• Formula: C36 H55 Al N2 O2
• Calculated formula: C36 H55 Al N2 O2
• SMILES: [Al]123(CC)[N](=Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O2)CC(C)(C)[N]1=Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)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: 11.4152 ± 0.0007 Å
• b: 26.7147 ± 0.0015 Å
• c: 11.664 ± 0.0007 Å
• α: 90°
• β: 104.492 ± 0.001°
• γ: 90°
• Cell volume: 3443.8 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 5
• 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: 0.1021
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No