Information card for entry 7133339

Structure parameters

• Formula: C37 H26 Cl2 N4 O2
• Calculated formula: C37 H26 Cl2 N4 O2
• Title of publication: One flask cascade approach to a complex pyrano[2,3-<i>c</i>]pyrazole-pyrazolone hybrid heterocyclic system and its initiatory neurobiological profiling.
• Authors of publication: Balasubramani, Alagesan; Sudarshana, K. A.; Kushwaha, Roli; Chakravarty, Sumana; Pabbaraja, Srihari; Mehta, Goverdhan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 64
• Pages of publication: 8443 - 8446
• a: 9.724 ± 0.007 Å
• b: 12.297 ± 0.009 Å
• c: 13.872 ± 0.01 Å
• α: 103.225 ± 0.015°
• β: 106.099 ± 0.014°
• γ: 98.327 ± 0.016°
• Cell volume: 1512.5 ± 1.9 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No