Information card for entry 1552828

Structure parameters

• Formula: C51 H57 Mg N3 O2 Si2
• Calculated formula: C51 H57 Mg N3 O2 Si2
• SMILES: c12c(cc(cc1C[N]1(CC3=[N]([C@H]4[C@@H](O3)Cc3ccccc43)[Mg]1(N([Si](C)(C)C)[Si](C)(C)C)O2)Cc1ccccc1)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.371 ± 0.004 Å
• b: 19.871 ± 0.007 Å
• c: 20.675 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4672 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1367
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No