Information card for entry 1506422

Structure parameters

• Formula: C42 H69 Li O5
• Calculated formula: C42 H69 Li O5
• SMILES: [Li](Oc1c(cc(cc1[C@H](c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide
• Authors of publication: Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh
• Journal of publication: Macromolecules
• Year of publication: 2005
• Journal volume: 38
• Journal issue: 23
• Pages of publication: 9482
• a: 10.2275 ± 0.0011 Å
• b: 18.585 ± 0.002 Å
• c: 11.7291 ± 0.0012 Å
• α: 90°
• β: 106.401 ± 0.002°
• γ: 90°
• Cell volume: 2138.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No