Information card for entry 1554177

Structure parameters

• Formula: C85 H130 Cl2 N2 O8 Ti2
• Calculated formula: C85 H130 Cl2 N2 O8 Ti2
• Title of publication: Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes
• Authors of publication: Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P.
• Journal of publication: Macromolecules
• Year of publication: 2019
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 3252
• a: 12.774 ± 0.0004 Å
• b: 20.1276 ± 0.0006 Å
• c: 16.5375 ± 0.0004 Å
• α: 90°
• β: 94.834 ± 0.003°
• γ: 90°
• Cell volume: 4236.8 ± 0.2 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No