Information card for entry 7008461

Structure parameters

• Formula: C40 H64 Mg N2 O6
• Calculated formula: C40 H64 Mg N2 O6
• SMILES: [Mg]1234(Oc5c(C[N]3(C)CC3[O]1CCO3)cc(cc5C(C)(C)C)C(C)(C)C)Oc1c(C[N]4(C)CC3[O]2CCO3)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Highly efficient magnesium initiators for lactide polymerization.
• Authors of publication: Ejfler, Jolanta; Kobyłka, Michał; Jerzykiewicz, Lucjan B.; Sobota, Piotr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 11
• Pages of publication: 2047 - 2050
• a: 12.447 ± 0.001 Å
• b: 19.213 ± 0.002 Å
• c: 33.768 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8075.4 ± 1.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No