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Information card for entry 7249144
Preview
Coordinates | 7249144.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | trans-4-(trifluoromethyl)cinnamic acid illuminated to beta-truxinic acid |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7249144.html
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