Information card for entry 1547593

Structure parameters

• Formula: C48 H59 N3 O2 Si2 Zn
• Calculated formula: C48 H59 N3 O2 Si2 Zn
• SMILES: [Zn@]12(Oc3c(cc(cc3C[N]1(CC1O[C@@H]3[C@H]([N]2=1)c1c(C3)cccc1)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: 11.2307 ± 0.001 Å
• b: 16.3927 ± 0.0015 Å
• c: 23.767 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4375.5 ± 0.7 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0632
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No