Information card for entry 1558040

Structure parameters

• Formula: C65 H51 Cl3 F8 N2 O4
• Calculated formula: C65 H51 Cl3 F8 N2 O4
• Title of publication: Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes
• Authors of publication: Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo
• Journal of publication: Macromolecules
• Year of publication: 2020
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 3806 - 3813
• a: 13.843 ± 0.0005 Å
• b: 23.5705 ± 0.0009 Å
• c: 33.4177 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10903.7 ± 0.7 ų
• Cell temperature: 99.94 ± 0.15 K
• Ambient diffraction temperature: 99.94 ± 0.15 K
• Number of distinct elements: 6
• 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: 0.1166
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No