Information card for entry 7039367

Structure parameters

• Formula: C45 H65 Mg N3 O Si2
• Calculated formula: C45 H65 Mg N3 O Si2
• SMILES: [Mg]12([N](Cc3c(O2)c(cc(c3)C(C)(C)c2ccccc2)C(C)(C)c2ccccc2)(C[C@H]2[N]1(CCC2)CC)Cc1ccccc1)N([Si](C)(C)C)[Si](C)(C)C
• 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: 8.7667 ± 0.0015 Å
• b: 11.5603 ± 0.0019 Å
• c: 12.315 ± 0.002 Å
• α: 64.61 ± 0.003°
• β: 78.219 ± 0.003°
• γ: 88.125 ± 0.003°
• Cell volume: 1101.6 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No