Information card for entry 4082897

Structure parameters

• Formula: C33 H48 N4 O2 Zn2
• Calculated formula: C33 H48 N4 O2 Zn2
• SMILES: [Zn]12([O]3[Zn]([n]4n(c(cc4C)C)C(n4[n]1c(cc4C)C)[C@H]3C1=CC[C@H]3C[C@@H]1C3(C)C)([O]2c1c(cccc1C)C)CC)CC
• Title of publication: Stereoselective ROP ofrac-Lactide Mediated by Enantiopure NNO-Scorpionate Zinc Initiators
• Authors of publication: Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agust\?ín; Rodr\?íguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1859
• a: 12.1011 ± 0.0013 Å
• b: 16.3346 ± 0.0016 Å
• c: 16.7693 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3314.7 ± 0.6 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• 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: 0.1069
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No