Information card for entry 7159567

Structure parameters

• Formula: C33 H28 N2 O4
• Calculated formula: C33 H28 N2 O4
• Title of publication: Synthesis of pyrazoles from sulfonyl hydrazone and benzyl acrylate under transition-metal-free conditions.
• Authors of publication: Hao, Liqiang; Wang, Zhichao; Wang, Yangyang; Yang, Zhaoziyuan; Liu, Xian; Xu, Xiaobo; Ji, Yafei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 37
• Pages of publication: 7611 - 7615
• a: 20.6627 ± 0.0008 Å
• b: 5.9304 ± 0.0002 Å
• c: 23.2569 ± 0.0009 Å
• α: 90°
• β: 114.236 ± 0.001°
• γ: 90°
• Cell volume: 2598.68 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No