Information card for entry 7235385

Structure parameters

• Formula: C4.5 H2 F2 N2 O
• Calculated formula: C4.5 H2 F2 N2 O
• 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: 6.4061 ± 0.0003 Å
• b: 10.243 ± 0.0006 Å
• c: 16.3818 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.94 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No