Information card for entry 7063427

Structure parameters

• Formula: C16 H15 N3 O
• Calculated formula: C16 H15 N3 O
• Title of publication: Regioselective One-pot Synthesis of 1,4-Disubstituted 1,2,3-Triazoles Over Ag-Zn-based Nanoheterostructured Catalysts
• Authors of publication: Gogoi, Priyanka; Rahman, Monisur; Hazarika, Roktopol; Das, Babulal; Deori, Kalyanjyoti; Sarma, Diganta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 8.1513 ± 0.0008 Å
• b: 5.6813 ± 0.0006 Å
• c: 14.797 ± 0.0015 Å
• α: 90°
• β: 93.787 ± 0.003°
• γ: 90°
• Cell volume: 683.75 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No