Information card for entry 7249144

Structure parameters

• Chemical name: trans-4-(trifluoromethyl)cinnamic acid illuminated to beta-truxinic acid
• Formula: C20 H14 F6 O4
• Calculated formula: C20 H14 F6 O4
• 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: 7.893 ± 0.0005 Å
• b: 8.2222 ± 0.0006 Å
• c: 14.6037 ± 0.0012 Å
• α: 89.86 ± 0.006°
• β: 88.678 ± 0.006°
• γ: 82.349 ± 0.006°
• Cell volume: 939.06 ± 0.12 ų
• Cell temperature: 293 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: 0.1446
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2737
• Weighted residual factors for all reflections included in the refinement: 0.323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No