Information card for entry 4064535

Structure parameters

• Formula: C35 H66 Mg N6 O
• Calculated formula: C35 H66 Mg N6 O
• SMILES: [Mg]12([n]3n(C(n4[n]1c(cc4C(C)(C)C)C(C)(C)C)C(=NCC)N2C(C)(C)C)c(C(C)(C)C)cc3C(C)(C)C)C.CCOCC
• 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: 10.2612 ± 0.0009 Å
• b: 17.109 ± 0.002 Å
• c: 23.306 ± 0.002 Å
• α: 90°
• β: 93.321 ± 0.006°
• γ: 90°
• Cell volume: 4084.7 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No