Information card for entry 2216243

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(p-Phenylene)bis(2,2,2-trifluoroacetamide)
• Formula: C10 H6 F6 N2 O2
• Calculated formula: C10 H6 F6 N2 O2
• SMILES: O=C(C(F)(F)F)Nc1ccc(cc1)NC(=O)C(F)(F)F
• Title of publication: <i>N</i>,<i>N</i>'-(<i>p</i>-Phenylene)bis(2,2,2-trifluoroacetamide)
• Authors of publication: Lin Huang; Huisheng Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4657 - o4657
• a: 5.09 ± 0.0003 Å
• b: 5.4159 ± 0.0003 Å
• c: 10.1413 ± 0.0006 Å
• α: 97.959 ± 0.002°
• β: 90.397 ± 0.002°
• γ: 92.271 ± 0.002°
• Cell volume: 276.63 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes