Information card for entry 4516219

Structure parameters

• Formula: C34 H38 N2 O4 Pd2
• Calculated formula: C34 H38 N2 O4 Pd2
• SMILES: [Pd]13([O]=C(C)O[Pd]4([O]=C(O1)C)[N](C)(C)[C@@H](c1ccccc1)c1ccccc41)[N]([C@@H](c1ccccc1)c1ccccc31)(C)C.[Pd]13([O]=C(C)O[Pd]4([O]=C(O1)C)[N](C)(C)[C@H](c1ccccc1)c1ccccc41)[N]([C@H](c1ccccc1)c1ccccc31)(C)C
• Title of publication: Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization
• Authors of publication: Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 11386
• a: 9.6636 ± 0.0004 Å
• b: 18.8875 ± 0.0007 Å
• c: 16.9545 ± 0.0006 Å
• α: 90°
• β: 94.675 ± 0.001°
• γ: 90°
• Cell volume: 3084.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No