Information card for entry 1558562

Structure parameters

• Chemical name: (<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid
• Formula: C16 H14 F N O3
• Calculated formula: C16 H14 F N O3
• Title of publication: (<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid
• Authors of publication: Lee, Kathleen S.; Turner, Luke; Powell, Cynthia B.; Reinheimer, Eric W.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 7
• Pages of publication: x200897
• a: 9.74134 ± 0.00005 Å
• b: 9.83313 ± 0.00004 Å
• c: 14.91737 ± 0.00006 Å
• α: 90°
• β: 98.2662 ± 0.0004°
• γ: 90°
• Cell volume: 1414.06 ± 0.011 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No