Information card for entry 7245865

Structure parameters

• Formula: C31 H28 N6 O
• Calculated formula: C31 H28 N6 O
• Title of publication: Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines
• Authors of publication: Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 51
• Pages of publication: 33032 - 33048
• a: 8.156 ± 0.002 Å
• b: 9.356 ± 0.002 Å
• c: 19.728 ± 0.005 Å
• α: 101.682 ± 0.005°
• β: 92.413 ± 0.005°
• γ: 114.101 ± 0.005°
• Cell volume: 1332.5 ± 0.6 ų
• Cell temperature: 294.94 K
• Ambient diffraction temperature: 294.94 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1508
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No