Information card for entry 4516218

Structure parameters

• Formula: C46 H60 N4 O6 Pd2
• Calculated formula: C46 H60 N4 O6 Pd2
• 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: 9.4493 ± 0.0005 Å
• b: 19.4338 ± 0.0012 Å
• c: 25.5923 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4699.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No