Information card for entry 7235383

Structure parameters

• Formula: C H Cl F N
• Calculated formula: C2.25 H1.25 Cl0.5 F0.75 N0.75
• 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: 16.0332 ± 0.0012 Å
• b: 6.8721 ± 0.0004 Å
• c: 10.703 ± 0.0007 Å
• α: 90°
• β: 105.264 ± 0.007°
• γ: 90°
• Cell volume: 1137.67 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.586
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No