Information card for entry 7246857

Structure parameters

• Formula: C26 H27 N5 O2
• Calculated formula: C26 H27 N5 O2
• SMILES: O=C(c1cnn2c1nc(cc2c1ccccc1)c1ccccc1)NCCCN1CCOCC1
• 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: 10.4658 ± 0.0008 Å
• b: 9.9343 ± 0.0008 Å
• c: 43.524 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4525.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No