Information card for entry 1505123

Structure parameters

• Formula: C22 H27 Al N2 O3
• Calculated formula: C22 H27 Al N2 O3
• SMILES: [Al]123([N](CC(C[N]1=Cc1c(O2)cccc1)(C)C)=Cc1ccccc1O3)OC(C)C
• 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: 11.0321 ± 0.0009 Å
• b: 10.2287 ± 0.0008 Å
• c: 18.3383 ± 0.0015 Å
• α: 90°
• β: 94.061 ± 0.001°
• γ: 90°
• Cell volume: 2064.2 ± 0.3 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: 0.0847
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No