Information card for entry 7249405

Structure parameters

• Formula: C15 H9 Br Cl4 N4 O
• Calculated formula: C15 H9 Br Cl4 N4 O
• 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: 13.02 ± 0.003 Å
• b: 9.949 ± 0.004 Å
• c: 27.886 ± 0.006 Å
• α: 90°
• β: 93.46 ± 0.03°
• γ: 90°
• Cell volume: 3605.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No