Information card for entry 4331363

Structure parameters

• Formula: C88 H134 Li4 O10
• Calculated formula: C88 H134 Li4 O10
• SMILES: [Li]1([O]2[Li]([O]1c1c(C(c3cc(cc(c23)C(C)(C)C)C(C)(C)C)c2cc(C3c4cc(cc(c4[O]4[Li]([O]([Li]4[O]4CCCC4)c4c3cc(cc4C(C)(C)C)C(C)(C)C)([O]3CCCC3)[O]3CCCC3)C(C)(C)C)C(C)(C)C)ccc2)cc(cc1C(C)(C)C)C(C)(C)C)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide
• Authors of publication: Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13380 - 13389
• a: 17.406 ± 0.013 Å
• b: 23.338 ± 0.017 Å
• c: 11.34 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4607 ± 6 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.2289
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No