Information card for entry 7232872

Structure parameters

• Common name: Trifluoroethanol
• Chemical name: 2,2,2-Trifluoroethanol
• Formula: C2 H3 F3 O
• Calculated formula: C2 H3 F3 O
• Title of publication: The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol
• Authors of publication: Barnett, S. A.; Allan, D. R.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 4501
• a: 4.9159 ± 0.0007 Å
• b: 8.8894 ± 0.0018 Å
• c: 9.226 ± 0.003 Å
• α: 111.71 ± 0.02°
• β: 103.03 ± 0.02°
• γ: 90.97 ± 0.01°
• Cell volume: 362.68 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.4859 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No