Information card for entry 7249143

Structure parameters

• Common name: 3-(Trifluoromethyl)cinnamic acid
• Chemical name: trans-3-(trifluoromehtyl)cinnamic acid
• Formula: C10 H7 F3 O2
• Calculated formula: C10 H7 F3 O2
• Title of publication: Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds
• Authors of publication: Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 33
• Pages of publication: 4470 - 4477
• a: 14.3911 ± 0.0009 Å
• b: 4.9722 ± 0.0003 Å
• c: 13.1778 ± 0.0008 Å
• α: 90°
• β: 91.829 ± 0.006°
• γ: 90°
• Cell volume: 942.46 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No