Information card for entry 7160081

Structure parameters

• Formula: C11 H12 N O3 Pd0.5
• Calculated formula: C11 H12 N O3 Pd0.5
• Title of publication: Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp³)-H functionalization of glycinamides.
• Authors of publication: Jena, Chinmay K.; Sharma, Nagendra K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 33
• Pages of publication: 6822 - 6832
• a: 13.4678 ± 0.0009 Å
• b: 5.0155 ± 0.0003 Å
• c: 17.0923 ± 0.001 Å
• α: 90°
• β: 111.3 ± 0.007°
• γ: 90°
• Cell volume: 1075.68 ± 0.13 ų
• Cell temperature: 270 ± 3 K
• Ambient diffraction temperature: 270 ± 3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No