Information card for entry 7249145

Structure parameters

• Common name: trans-4-(trifluoromethyl) cinnamic acid
• Chemical name: trans-4-(trifluoromethyl) 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: 7.8672 ± 0.0005 Å
• b: 7.9953 ± 0.0006 Å
• c: 14.9972 ± 0.0011 Å
• α: 91.368 ± 0.006°
• β: 93.753 ± 0.005°
• γ: 94.796 ± 0.005°
• Cell volume: 937.61 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0757
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No