Information card for entry 7224192

Structure parameters

• Formula: C29 H35 N5 O7 S3
• Calculated formula: C29 H35 N5 O7 S3
• Title of publication: Design, Synthesis and Evaluation of Benzenesulfonamide-substituted 1,5-Diarylpyrazoles containing Phenylacetohydrazide Derivatives as COX-1/COX-2 Agents Against Solid Tumors
• Authors of publication: Zhu, Hai-Liang; Lu, Xiao-Yuan; Wang, Zhong-Chang; Wei, Ting; Yan, Xiao-Qiang; Wang, Peng-Fei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.9102 ± 0.0019 Å
• b: 11.1286 ± 0.0019 Å
• c: 16.302 ± 0.002 Å
• α: 76.597 ± 0.003°
• β: 87.151 ± 0.003°
• γ: 60.847 ± 0.003°
• Cell volume: 1676.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.2136
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No