Information card for entry 7153271

Structure parameters

• Formula: C26 H32 N2 O5
• Calculated formula: C26 H32 N2 O5
• SMILES: n1(=O)c(c(C)cc2CC[C@@H]3OC(O[C@@H]3c12)(C)C)c1nc2c(cc1C)CC[C@@H]1OC(O[C@H]21)(C)C
• Title of publication: Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.
• Authors of publication: Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1081 - 1090
• a: 14.072 ± 0.0001 Å
• b: 14.218 ± 0.0001 Å
• c: 22.889 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4579.53 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No