Information card for entry 7160077

Structure parameters

• Formula: C17 H16 N2 O3
• Calculated formula: C17 H16 N2 O3
• 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: 13.8803 ± 0.001 Å
• b: 13.7121 ± 0.0009 Å
• c: 8.213 ± 0.0005 Å
• α: 90°
• β: 104.208 ± 0.007°
• γ: 90°
• Cell volume: 1515.35 ± 0.18 ų
• Cell temperature: 248 ± 50 K
• Ambient diffraction temperature: 248 ± 50 K
• Number of distinct elements: 4
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No