Information card for entry 1516654

Structure parameters

• Formula: C19 H34 F6 N2 O10 S2 Zn
• Calculated formula: C19 H34 F6 N2 O10 S2 Zn
• SMILES: [Zn]1([OH2])([OH2])(OS(=O)(=O)C(F)(F)F)[N]2=C(OC[C@@H]2C(C)(C)C)C(C2OC[C@@H]([N]1=2)C(C)(C)C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Enantioselective conjugate addition of N,N-dialkylhydrazones to alpha-hydroxy enones.
• Authors of publication: Monge, David; Martín-Zamora, Eloísa; Vazquez, Juan; Alcarazo, Manuel; Alvarez, Eleuterio; Fernandez, Rosario; Lassaletta, José M
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 2867 - 2870
• a: 9.332 ± 0.0006 Å
• b: 12.2796 ± 0.0009 Å
• c: 25.7432 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2950 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No