Information card for entry 1545102

Structure parameters

• Formula: C36 H44 N2 O2 Zn
• Calculated formula: C36 H44 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(ccc4ccccc34)C[N]1(C)C1CCCCC1)Oc1c(ccc3ccccc13)C[N]2(C)C1CCCCC1
• Title of publication: Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.
• Authors of publication: Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1349 - 1365
• a: 14.482 ± 0.006 Å
• b: 15.42 ± 0.007 Å
• c: 27.296 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6096 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No