Information card for entry 1552827

Structure parameters

• Formula: C47 H57 Mg N3 O2 Si2
• Calculated formula: C47 H57 Mg N3 O2 Si2
• SMILES: c12c(O[Mg]3([N](C1)(C1CCCCC1)Cc1oc4ccccc4[n]31)N([Si](C)(C)C)[Si](C)(C)C)c(C(c1ccccc1)(c1ccccc1)c1ccccc1)cc(C)c2
• Title of publication: Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control
• Authors of publication: Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 14
• Pages of publication: 5304
• a: 15.801 ± 0.002 Å
• b: 13.9759 ± 0.0018 Å
• c: 19.829 ± 0.003 Å
• α: 90°
• β: 97.419 ± 0.003°
• γ: 90°
• Cell volume: 4342.2 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No