Information card for entry 7249076

Structure parameters

• Formula: C18 H17 N5 O3
• Calculated formula: C18 H17 N5 O3
• Title of publication: Development of di-arylated 1,2,4-triazole-based derivatives as therapeutic agents against breast cancer: synthesis and biological evaluation
• Authors of publication: Deb, Mousumi; Singh, Hoshiyar; Manhas, Diksha; Nandi, Utpal; Guru, Santosh Kumar; Das, Parthasarathi
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 13.0154 ± 0.0005 Å
• b: 6.8065 ± 0.0002 Å
• c: 20.5824 ± 0.0006 Å
• α: 90°
• β: 105.985 ± 0.003°
• γ: 90°
• Cell volume: 1752.88 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No