Information card for entry 2227261

Structure parameters

• Chemical name: <i>N</i>-Benzyl-2,3,4,5,6-pentafluorobenzamide
• Formula: C14 H8 F5 N O
• Calculated formula: C14 H8 F5 N O
• SMILES: Fc1c(C(=O)NCc2ccccc2)c(F)c(F)c(F)c1F
• Title of publication: <i>N</i>-Benzyl-2,3,4,5,6-pentafluorobenzamide
• Authors of publication: Valkonen, Arto; Lahtinen, Tanja; Rissanen, Kari
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3007
• a: 7.1649 ± 0.0002 Å
• b: 22.909 ± 0.0005 Å
• c: 7.5363 ± 0.0001 Å
• α: 90°
• β: 99.205 ± 0.002°
• γ: 90°
• Cell volume: 1221.08 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes