Information card for entry 1567255

Structure parameters

• Formula: C44 H73 N2 O4 Y
• Calculated formula: C44 H73 N2 O4 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: 9.938 ± 0.002 Å
• b: 12.053 ± 0.002 Å
• c: 19.598 ± 0.004 Å
• α: 94.27 ± 0.03°
• β: 104.5 ± 0.03°
• γ: 90.69 ± 0.03°
• Cell volume: 2265.3 ± 0.8 ų
• Cell temperature: 300.79 ± 0.1 K
• Ambient diffraction temperature: 300.79 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No