Information card for entry 4128024

Structure parameters

• Formula: C22 H24 O4 Pd2
• Calculated formula: C22 H24 O4 Pd2
• Title of publication: Operando Spectroscopic and Kinetic Characterization of Aerobic Allylic C-H Acetoxylation Catalyzed by Pd(OAc)₂/4,5-Diazafluoren-9-one.
• Authors of publication: Jaworski, Jonathan N.; Kozack, Caitlin V.; Tereniak, Stephen J.; Knapp, Spring Melody M.; Landis, Clark R.; Miller, Jeffrey T.; Stahl, Shannon S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 26
• Pages of publication: 10462 - 10474
• a: 9.804 ± 0.003 Å
• b: 13.105 ± 0.003 Å
• c: 16.366 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2102.7 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0307
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No