Information card for entry 7116131

Structure parameters

• Formula: C26 H36 N2 O2
• Calculated formula: C26 H36 N2 O2
• SMILES: c1(c(cc(cc1CN1[C@@H]([C@H]2N(Cc3c(c(cc(c3)C)C)O)CCC2)CCC1)C)C)O
• Title of publication: Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide
• Authors of publication: Matthew D. Jones; Stuart L. Hancock; Paul McKeown; Pascal M. Schafer; Antoine Buchard; Lynne H. Thomas; Mary F. Mahon; John P. Lowe
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15967
• a: 5.3824 ± 0.0003 Å
• b: 7.5543 ± 0.0003 Å
• c: 13.7185 ± 0.0007 Å
• α: 84.481 ± 0.004°
• β: 81.449 ± 0.005°
• γ: 83.467 ± 0.004°
• Cell volume: 546.23 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No