Information card for entry 4071946

Structure parameters

• Formula: C80 H116 Mg2 O8 S2
• Calculated formula: C80 H116 Mg2 O8 S2
• SMILES: [Mg]12([O]([Mg]3([O]2c2c(cc(cc2[C@@H](c2cc(cc(c2O[S@](=[O]3)(=O)c2ccccc2)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)CCCC)c2c(cc(cc2[C@@H](c2cc(cc(c2O[S@](=[O]1)(=O)c1ccccc1)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)CCCC
• Title of publication: Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide
• Authors of publication: Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 4970
• a: 19.5642 ± 0.0012 Å
• b: 19.5642 ± 0.0012 Å
• c: 19.5642 ± 0.0012 Å
• α: 101.023 ± 0.001°
• β: 101.023 ± 0.001°
• γ: 101.023 ± 0.001°
• Cell volume: 7010.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :R
• Hall space group symbol: P 3*
• Residual factor for all reflections: 0.1505
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No