Information card for entry 7160063

Structure parameters

• Formula: C31 H24 N2 O
• Calculated formula: C31 H24 N2 O
• Title of publication: Copper-catalyzed aerobic annulation of hydrazones with dienones: an efficient route to pyrazole-linked hybrid molecules.
• Authors of publication: Nayak, Kalinga H.; Jijin, Robert K.; Sreelekha, Mariswamy K.; Babu, Beneesh P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 32
• Pages of publication: 6631 - 6637
• a: 6.1461 ± 0.0006 Å
• b: 19.503 ± 0.003 Å
• c: 19.67 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2357.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No