Information card for entry 7201774

Structure parameters

• Formula: C10 H7 F3 O2
• Calculated formula: C10 H7 F3 O2
• Title of publication: Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition
• Authors of publication: Howard, Judith A. K.; Sparkes, Hazel A.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 502
• a: 7.693 ± 0.003 Å
• b: 7.816 ± 0.004 Å
• c: 15.076 ± 0.007 Å
• α: 94.028 ± 0.012°
• β: 90.878 ± 0.011°
• γ: 94.675 ± 0.014°
• Cell volume: 901 ± 0.7 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No