Information card for entry 7039368

Structure parameters

• Formula: C55 H73 Mg N3 O Si3
• Calculated formula: C55 H73 Mg N3 O Si3
• SMILES: [Mg]12([N](Cc3c(O2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(c3)C)(C[C@H]2[N]1(CCC2)CCCC)Cc1ccccc1)N([Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)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: 10.0092 ± 0.0004 Å
• b: 22.1908 ± 0.0009 Å
• c: 23.6773 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5259 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1072
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No