Information card for entry 1567256

Structure parameters

• Formula: C50 H86 N2 O4.25 Y
• Calculated formula: C50 H86 N2 O4.25 Y
• Title of publication: Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands
• Authors of publication: Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong
• Journal of publication: Polymer Chemistry
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 29
• Pages of publication: 4249 - 4259
• a: 21.9272 ± 0.0008 Å
• b: 11.1967 ± 0.0005 Å
• c: 41.785 ± 0.002 Å
• α: 90°
• β: 92.244 ± 0.004°
• γ: 90°
• Cell volume: 10250.9 ± 0.8 ų
• Cell temperature: 294.06 ± 0.1 K
• Ambient diffraction temperature: 294.06 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2596
• Weighted residual factors for all reflections included in the refinement: 0.2917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No