Information card for entry 1554178

Structure parameters

• Formula: C49 H74 N O4 Ti
• Calculated formula: C49 H74 N O4 Ti
• SMILES: c12c(cc(cc1C[N]13Cc4c(O[Ti]3(O2)(Oc2c(cc(cc2C1)C(C)(C)C)C(C)(C)C)[O]1CCCC1)c(cc(c4)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 10.3781 ± 0.0002 Å
• b: 11.0454 ± 0.0002 Å
• c: 20.6189 ± 0.0005 Å
• α: 91.943 ± 0.002°
• β: 100.093 ± 0.002°
• γ: 96.471 ± 0.001°
• Cell volume: 2308.67 ± 0.08 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No