Information card for entry 1555358

Structure parameters

• Formula: C25 H26 F6 N3 P Pd
• Calculated formula: C25 H26 F6 N3 P Pd
• SMILES: c12cccc[n]2[Pd]23([CH2]=[CH]2C3)[N](=C1)N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Pyridine-Hydrazones as N,N'-Ligands in Asymmetric Catalysis: Pd(II)-Catalyzed Addition of Boronic Acids to Cyclic Sulfonylketimines.
• Authors of publication: Álvarez-Casao, Yolanda; Monge, David; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5104 - 5107
• a: 9.6947 ± 0.0012 Å
• b: 12.5617 ± 0.0014 Å
• c: 21.062 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2565 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No