Information card for entry 1504324

Structure parameters

• Common name: para-Trifluoromethylformanilide
• Formula: C8 H6 F3 N O
• Calculated formula: C8 H6 F3 N O
• Title of publication: Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†
• Authors of publication: Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.
• Journal of publication: Organic Process Research & Development
• Year of publication: 2009
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1231
• a: 7.1142 ± 0.0003 Å
• b: 10.3129 ± 0.0006 Å
• c: 12.2349 ± 0.0008 Å
• α: 77.686 ± 0.003°
• β: 79.631 ± 0.004°
• γ: 70.525 ± 0.004°
• Cell volume: 821.03 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1004
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No