Information card for entry 1505785

Structure parameters

• Formula: C30 H40 N2 O4 Ti
• Calculated formula: C30 H40 N2 O4 Ti
• SMILES: [Ti]123(Oc4c(C[N]1(Cc1c(O2)c(cc(c1)C)C)Cc1[n]3cccc1)cc(cc4C)C)(OC(C)C)OC(C)C
• Title of publication: Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters
• Authors of publication: Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.
• Journal of publication: Macromolecules
• Year of publication: 2006
• Journal volume: 39
• Journal issue: 21
• Pages of publication: 7250
• a: 25.548 ± 0.0001 Å
• b: 25.548 ± 0.0001 Å
• c: 18.319 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11956.8 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No