Information card for entry 1544591

Structure parameters

• Formula: C29 H45 N3 O2 Zn
• Calculated formula: C29 H43.044 N3 O2 Zn
• 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: 11.1804 ± 0.0011 Å
• b: 13.0247 ± 0.0013 Å
• c: 19.4626 ± 0.0019 Å
• α: 90°
• β: 95.724 ± 0.002°
• γ: 90°
• Cell volume: 2820 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0689
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No