Information card for entry 2202545

Structure parameters

• Chemical name: 2,3,4,5,6-Pentafluorobenzamide
• Formula: C7 H2 F5 N O
• Calculated formula: C7 H2 F5 N O
• SMILES: Fc1c(c(F)c(F)c(F)c1F)C(=O)N
• Title of publication: 2,3,4,5,6-Pentafluorobenzamide
• Authors of publication: Maria Gdaniec
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1642 - o1644
• a: 12.7305 ± 0.0011 Å
• b: 6.1929 ± 0.0006 Å
• c: 9.5856 ± 0.001 Å
• α: 90°
• β: 100.073 ± 0.008°
• γ: 90°
• Cell volume: 744.07 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes