Information card for entry 7058428

Structure parameters

• Formula: C22 H23 N3 O4
• Calculated formula: C22 H23 N3 O4
• Title of publication: Design of a simple and efficient synthesis for bioactive novel pyrazolyl‒isoxazoline hybrids
• Authors of publication: Sankar, Balakrishnan; Harikrishnan, Muniyasamy; Raja, Ranganathan; Sadhasivam, Velu; Malini, Nelson; Murugesan, Sepperumal; Siva, Ayyanar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 10458
• a: 15.715 ± 0.002 Å
• b: 15.803 ± 0.002 Å
• c: 8.4108 ± 0.001 Å
• α: 90°
• β: 100.922 ± 0.006°
• γ: 90°
• Cell volume: 2050.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No