Information card for entry 1547594

Structure parameters

• Formula: C53 H63 N3 O2 Si2 Zn
• Calculated formula: C53 H63 N3 O2 Si2 Zn
• SMILES: [Zn@@]12(Oc3c(cc(cc3C[N]1(CC1O[C@@H]([C@@H]([N]2=1)c1ccccc1)c1ccccc1)CCCC)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)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: 12.8617 ± 0.0011 Å
• b: 16.661 ± 0.0015 Å
• c: 12.9222 ± 0.0011 Å
• α: 90°
• β: 116.765 ± 0.002°
• γ: 90°
• Cell volume: 2472.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No