Information card for entry 7246856

Structure parameters

• Formula: C26 H20 N4 O
• Calculated formula: C26 H20 N4 O
• Title of publication: Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones
• Authors of publication: Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 16377 - 16386
• a: 10.4688 ± 0.0005 Å
• b: 10.5163 ± 0.0005 Å
• c: 18.8519 ± 0.001 Å
• α: 90°
• β: 100.789 ± 0.005°
• γ: 90°
• Cell volume: 2038.78 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0623
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No