Information card for entry 7249404

Structure parameters

• Formula: C14 H9 F2 N O3
• Calculated formula: C14 H9 F2 N O3
• Title of publication: Utilizing perhalopyridine-based alkynes as suitable precursors for the synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines
• Authors of publication: Khorasani, Fereshteh; Ranjbar-Karimi, Reza; Mohammadiannejad, Kazem
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 30873 - 30885
• a: 19.806 ± 0.008 Å
• b: 4.4215 ± 0.0009 Å
• c: 16.055 ± 0.003 Å
• α: 90°
• β: 113.91 ± 0.02°
• γ: 90°
• Cell volume: 1285.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1076
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No