Information card for entry 7159467

Structure parameters

• Formula: C39 H41 N3 Na O9 Pd
• Calculated formula: C39 H41 N3 Na O9 Pd
• Title of publication: A regioselective synthesis of 3,4-diaryl-1<i>H</i>-pyrazoles through a 1,3-dipolar cycloaddition of tosylhydrazones and nitroalkenes.
• Authors of publication: García-Mejía, Carlos D; Hernández-Vázquez, Eduardo; Alejandro Ibarra-Hernández, Javier; Tarbuck-Valle, Atl; Ramírez-Apán, María T
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 6205 - 6217
• a: 11.3041 ± 0.0009 Å
• b: 12.1883 ± 0.001 Å
• c: 15.3961 ± 0.0013 Å
• α: 73.037 ± 0.002°
• β: 80.723 ± 0.002°
• γ: 67.275 ± 0.002°
• Cell volume: 1868.6 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No