Information card for entry 4331360

Structure parameters

• Formula: C98 H156 Cl4 Na2 O12
• Calculated formula: C98 H156 Cl4 Na2 O12
• SMILES: c1(c(cc(C(C)(C)C)cc1C(c1cc(cc(c1O[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)C(C)(C)C)C(C)(C)C)c1ccc(C(c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O)c2cc(cc(c2O[Na]([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)[O]2CCCC2)C(C)(C)C)C(C)(C)C)cc1)C(C)(C)C)O.C(Cl)Cl.C(Cl)Cl
• 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: 26.1333 ± 0.0009 Å
• b: 12.6759 ± 0.0004 Å
• c: 32.1125 ± 0.0012 Å
• α: 90°
• β: 102.395 ± 0.004°
• γ: 90°
• Cell volume: 10389.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No