Information card for entry 7235387

Structure parameters

• Formula: C11 H7 F3 N6
• Calculated formula: C11 H7 F3 N6
• Title of publication: Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives
• Authors of publication: Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 21
• Pages of publication: 7917
• a: 7.445 ± 0.002 Å
• b: 15.889 ± 0.005 Å
• c: 10.638 ± 0.003 Å
• α: 90°
• β: 109.22 ± 0.005°
• γ: 90°
• Cell volume: 1188.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No