Information card for entry 1544588

Structure parameters

• Formula: C35 H48 N2 O Zn
• Calculated formula: C35 H48 N2 O Zn
• SMILES: [Zn]12(Oc3c(cc(cc3C(c3ccccc3)(C)C)C(c3ccccc3)(C)C)C[NH]2[C@@H]2[C@@H]([N]1(C)C)CCCC2)CC
• Title of publication: Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate)
• Authors of publication: Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa
• Journal of publication: Macromolecules
• Year of publication: 2016
• a: 8.453 ± 0.0014 Å
• b: 18.142 ± 0.003 Å
• c: 10.3805 ± 0.0015 Å
• α: 90°
• β: 97.637 ± 0.004°
• γ: 90°
• Cell volume: 1577.8 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No