Information card for entry 1554181

Structure parameters

• Formula: C56 H84 Cl2 N4 O7 Ti2
• Calculated formula: C56 H84 Cl2 N4 O7 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: 8.61539 ± 0.00007 Å
• b: 15.80257 ± 0.00011 Å
• c: 20.58955 ± 0.00017 Å
• α: 90°
• β: 96.8755 ± 0.0008°
• γ: 90°
• Cell volume: 2783.01 ± 0.04 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No