Information card for entry 1547595

Structure parameters

• Formula: C48 H59 N3 O2 Si2 Zn
• Calculated formula: C48 H59 N3 O2 Si2 Zn
• SMILES: [Zn@@]12([N](Cc3c(O2)c(cc(c3)C)C(c2ccccc2)(c2ccccc2)c2ccccc2)(CC2=[N]1[C@@H]1[C@H](O2)Cc2c1cccc2)CCCC)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands
• Authors of publication: Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 7911
• a: 11.216 ± 0.002 Å
• b: 16.373 ± 0.003 Å
• c: 23.726 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4357 ± 1.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No