Information card for entry 7054839

Structure parameters

• Chemical name: Ti
• Formula: C19 H33 Cl4 N O Ti
• Calculated formula: C19 H33 Cl4 N O Ti
• SMILES: c1(c(cc(cc1C[NH+](CC)CC)C(C)(C)C)C(C)(C)C)O[Ti](Cl)(Cl)(Cl)Cl
• Title of publication: Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene
• Authors of publication: Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 5218
• a: 11.0722 ± 0.0003 Å
• b: 22.891 ± 0.0007 Å
• c: 19.0774 ± 0.0006 Å
• α: 90°
• β: 98.033 ± 0.001°
• γ: 90°
• Cell volume: 4787.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No