Information card for entry 2005543

Structure parameters

• Chemical name: N-(pentafluoro-phenyl)-trifluoro-acetamide
• Formula: C8 H F8 N O
• Calculated formula: C8 H F8 N O
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)NC(=O)C(F)(F)F
• Title of publication: α,α,α,2,3,4,5,6-Octafluoroacetanilide
• Authors of publication: Mahoui, A.; Lapasset, J.; Moret, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2583 - 2585
• a: 11.23 ± 0.03 Å
• b: 9.66 ± 0.03 Å
• c: 8.89 ± 0.03 Å
• α: 90°
• β: 98.2 ± 0.03°
• γ: 90°
• Cell volume: 955 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1234
• Weighted residual factors for significantly intense reflections: 0.1205
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No