Information card for entry 4115653

Structure parameters

• Formula: C74 H102 Li6 O6
• Calculated formula: C74 H102 Li6 O6
• SMILES: [Li]12[O]34[Li]5[O]61[Li]1[O]5([Li]5[O]1([Li]1[O]5([Li]3[O]21c1c(C(c2c6c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc1C(C)(C)C)C(C)(C)C)c1c(C(c2c4c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc1C(C)(C)C)C(C)(C)C)Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide
• Authors of publication: Bao-Tsan Ko; Chu-Chieh Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 7973 - 7977
• a: 15.116 ± 0.003 Å
• b: 15.529 ± 0.003 Å
• c: 18.533 ± 0.004 Å
• α: 112.709 ± 0.004°
• β: 96.635 ± 0.004°
• γ: 109.956 ± 0.004°
• Cell volume: 3615.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No