Information card for entry 4101785

Structure parameters

• Formula: C19 H22 N O5 Pd S
• Calculated formula: C19 H22 N O5 Pd S
• Title of publication: Synthetic Applications of Pd(II)-Catalyzed C-H Carboxylation and Mechanistic Insights: Expedient Routes to Anthranilic Acids, Oxazolinones, and Quinazolinones
• Authors of publication: Ramesh Giri; Jonathan K. Lam; Jin-Quan Yu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 686 - 693
• a: 57.31 ± 0.02 Å
• b: 7.522 ± 0.003 Å
• c: 18.203 ± 0.007 Å
• α: 90°
• β: 98.1 ± 0.006°
• γ: 90°
• Cell volume: 7769 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No