Information card for entry 1516151

Structure parameters

• Formula: C46 H46 Mg O4
• Calculated formula: C46 H46 Mg O4
• SMILES: [Mg](OC(c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1
• Title of publication: Immortal ring-opening polymerization of ε-caprolactone by a neat magnesium catalyst system: an approach to obtain block and amphiphilic star polymers in situ
• Authors of publication: Wang, Yang; Liu, Bo; Wang, Xue; Zhao, Wei; Liu, Dongtao; Liu, Xinli; Cui, Dongmei
• Journal of publication: Polymer Chemistry
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 4580
• a: 19.0981 ± 0.0016 Å
• b: 9.6221 ± 0.0008 Å
• c: 22.024 ± 0.003 Å
• α: 90°
• β: 109.389 ± 0.001°
• γ: 90°
• Cell volume: 3817.7 ± 0.7 ų
• Cell temperature: 144.5 ± 0.2 K
• Ambient diffraction temperature: 144.5 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No