Information card for entry 2015314

Structure parameters

• Chemical name: N-[1-(Pentafluorophenyl)ethyl]acetamide
• Formula: C10 H8 F5 N O
• Calculated formula: C10 H8 F5 N O
• SMILES: Fc1c(C(NC(=O)C)C)c(F)c(F)c(F)c1F
• Title of publication: <i>N</i>-[1-(Pentafluorophenyl)ethyl]acetamide
• Authors of publication: Guzei, Ilia A.; Gorske, Benjamin C.; Blackwell, Helen E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o286 - o288
• a: 7.4129 ± 0.0005 Å
• b: 12.2875 ± 0.0008 Å
• c: 23.5594 ± 0.0015 Å
• α: 77.694 ± 0.002°
• β: 82.07 ± 0.002°
• γ: 89.936 ± 0.002°
• Cell volume: 2075.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes