Information card for entry 1544590

Structure parameters

• Formula: C89 H98 N4 O4 Si2 Zn2
• Calculated formula: C89 H100 N4 O4 Si2 Zn2
• SMILES: [Zn]123([O](Cc4ccccc4)[Zn]45([O]1Cc1ccccc1)Oc1c(C[NH]4[C@H]4[C@H]([N]5(C)C)CCCC4)cc(cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C)Oc1c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc(C)cc1C[NH]2[C@@H]1CCCC[C@H]1[N]3(C)C.c1cc(ccc1)C
• 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: 10.894 ± 0.002 Å
• b: 33.799 ± 0.007 Å
• c: 21.937 ± 0.005 Å
• α: 90°
• β: 101.82 ± 0.004°
• γ: 90°
• Cell volume: 7906 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No