Information card for entry 7250677

Structure parameters

• Formula: C35 H32 N2 O4
• Calculated formula: C35 H32 N2 O4
• Title of publication: Synthesis of 5-(pyrazol-4-yl) pentanoic acids and 4-(pyrazol-4-yl) butanoic acids via a cascade annulation/ring-opening reaction between hydrazone and dienone
• Authors of publication: Nayak, Kalinga H.; Jijin, Robert K.; Babu, Beneesh P.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 24137 - 24141
• a: 8.743 ± 0.0005 Å
• b: 11.8023 ± 0.0006 Å
• c: 15.3997 ± 0.0008 Å
• α: 74.888 ± 0.002°
• β: 83.416 ± 0.002°
• γ: 74.21 ± 0.002°
• Cell volume: 1474.58 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.1599
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No