Information card for entry 4101336

Structure parameters

• Formula: C26 H22 N2 O4 Pd2
• Calculated formula: C26 H22 N2 O4 Pd2
• SMILES: [Pd]123([Pd]4([O]=C(O1)C)(OC(=[O]2)C)c1c(c2[n]4cccc2)cccc1)[n]1c(c2c3cccc2)cccc1
• Title of publication: Intermolecular amidation of unactivated sp2 and sp2 C-H bonds via palladium-catalyzed cascade C-H activation/nitrene insertion.
• Authors of publication: Thu, Hung-Yat; Yu, Wing-Yiu; Che, Chi-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 28
• Pages of publication: 9048 - 9049
• a: 9.918 ± 0.002 Å
• b: 13.261 ± 0.003 Å
• c: 17.723 ± 0.004 Å
• α: 90°
• β: 95.05 ± 0.03°
• γ: 90°
• Cell volume: 2321.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No