Information card for entry 4081615

Structure parameters

• Formula: C39 H33 Al Cl2 N2 O3
• Calculated formula: C39 H33 Al Cl2 N2 O3
• SMILES: [Al]123([O](c4c(N2c2ccc5ccccc5c2c2c([N]3=Cc3c(O1)c(Cl)cc(Cl)c3)ccc1ccccc21)cccc4)C)C.O1CCCC1
• Title of publication: Stereoselective Ring-Opening Polymerization ofrac-Lactides Catalyzed by Aluminum Hemi-Salen Complexes
• Authors of publication: Gao, Bo; Duan, Ranlong; Pang, Xuan; Li, Xiang; Qu, Zhi; Tang, Zhaohui; Zhuang, Xiuli; Chen, Xuesi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5435
• a: 24.3691 ± 0.0016 Å
• b: 19.5225 ± 0.0013 Å
• c: 17.5837 ± 0.0011 Å
• α: 90°
• β: 126.093 ± 0.001°
• γ: 90°
• Cell volume: 6759.7 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No