Information card for entry 1554179

Structure parameters

• Formula: C44 H60 Cl2 N4 O4 Ti2
• Calculated formula: C44 H60 Cl2 N4 O4 Ti2
• SMILES: c12c(cc(cc1C[N]13Cc4c(O[Ti]53([N](CC1)(C)C)(O2)[Cl][Ti]123([N](Cc6c(c(cc(c6)C)C)O2)(Cc2c(O3)c(cc(c2)C)C)CC[N]1(C)C)[Cl]5)c(cc(c4)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: 8.246 ± 0.0001 Å
• b: 19.127 ± 0.0003 Å
• c: 13.8373 ± 0.0002 Å
• α: 90°
• β: 90.346 ± 0.001°
• γ: 90°
• Cell volume: 2182.4 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No