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Information card for entry 7249143
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Coordinates | 7249143.cif |
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Original paper (by DOI) | HTML |
Common name | 3-(Trifluoromethyl)cinnamic acid |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7249143.html
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