Information card for entry 1505790

Structure parameters

• Formula: C24 H28 N2 O2
• Calculated formula: C24 H28 N2 O2
• SMILES: Oc1c(CN(Cc2ncccc2)Cc2c(O)c(cc(c2)C)C)cc(cc1C)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: 12.593 ± 0.0002 Å
• b: 9.041 ± 0.0001 Å
• c: 36.256 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4127.87 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No