Information card for entry 4064534

Structure parameters

• Formula: C37 H60 Mg N6
• Calculated formula: C37 H60 Mg N6
• SMILES: [Mg]12([n]3n(c(cc3C(C)(C)C)C(C)(C)C)C(n3[n]1c(cc3C(C)(C)C)C(C)(C)C)C(=N\C(C)C)\N2C(C)C)Cc1ccccc1
• Title of publication: Stereoselective Production of Poly(rac-lactide) by ROP with Highly Efficient Bulky Heteroscorpionate Alkylmagnesium Initiators
• Authors of publication: Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Otero, Antonio; Alonso-Moreno, Carlos; Lara-Sánchez, Agustín; Rodríguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2775
• a: 12.987 ± 0.002 Å
• b: 17.751 ± 0.003 Å
• c: 16.205 ± 0.003 Å
• α: 90°
• β: 95.1 ± 0.03°
• γ: 90°
• Cell volume: 3721 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2216
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No