Information card for entry 7039366

Structure parameters

• Formula: C40 H68 Mg N3 O Si2
• Calculated formula: C40 H68 Mg N3 O Si2
• SMILES: [Mg]12([N](Cc3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)(C[C@H]2[N]1(CCC2)CCCC)Cc1ccccc1)N([Si](C)(C)C)[Si](C)(C)C.c1ccccc1
• Title of publication: Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.
• Authors of publication: Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 10942 - 10953
• a: 10.578 ± 0.003 Å
• b: 17.438 ± 0.005 Å
• c: 23.315 ± 0.007 Å
• α: 90°
• β: 100.208 ± 0.005°
• γ: 90°
• Cell volume: 4233 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No