Information card for entry 7245868

Structure parameters

• Formula: C28 H22 N6
• Calculated formula: C27.9998 H21.9996 N6
• 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: 10.4257 ± 0.0014 Å
• b: 13.8104 ± 0.0017 Å
• c: 16.57 ± 0.002 Å
• α: 90°
• β: 101.663 ± 0.003°
• γ: 90°
• Cell volume: 2336.5 ± 0.5 ų
• Cell temperature: 296.86 K
• Ambient diffraction temperature: 296.86 K
• Number of distinct elements: 3
• 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: 0.0963
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No