Information card for entry 2212924

Structure parameters

• Chemical name: 5,5,5-Trifluoro-N-(4-fluorophenyl)-4-hydroxypentanamide
• Formula: C11 H11 F4 N O2
• Calculated formula: C11 H11 F4 N O2
• SMILES: Fc1ccc(cc1)NC(=O)CCC(C(F)(F)F)O
• Title of publication: 5,5,5-Trifluoro-<i>N</i>-(4-fluorophenyl)-4-hydroxypentanamide
• Authors of publication: Wan, Wen; Ma, Guo-Bin; Yuan, Zong-Qian; Li, Ming-Xing; Hao, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1685 - o1686
• a: 12.162 ± 0.002 Å
• b: 23.153 ± 0.004 Å
• c: 8.5893 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2418.6 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes