Information card for entry 4131670

Structure parameters

• Formula: C34 H36 N6 O7 Pd2
• Calculated formula: C34 H36 N6 O7 Pd2
• Title of publication: Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.
• Authors of publication: O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 44
• Pages of publication: 15576 - 15579
• a: 8.5111 ± 0.0005 Å
• b: 10.9386 ± 0.0006 Å
• c: 19.1791 ± 0.001 Å
• α: 81.916 ± 0.003°
• β: 86.459 ± 0.002°
• γ: 69.01 ± 0.003°
• Cell volume: 1650.39 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No