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Information card for entry 4037617
Preview
| Coordinates | 4037617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H46.52 Cl5 F12 K N4 O21.27 |
|---|---|
| Calculated formula | C24 H46.524 Cl5 F12 K N4 O21.262 |
| Title of publication | Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives. |
| Authors of publication | Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| a | 23.336 ± 0.008 Å |
| b | 7.0039 ± 0.0017 Å |
| c | 17.87 ± 0.006 Å |
| α | 90° |
| β | 130.76° |
| γ | 90° |
| Cell volume | 2212.3 ± 1.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.1904 |
| Weighted residual factors for all reflections included in the refinement | 0.2064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243746 (current) | 2019-11-27 | cif/ Adding structures of 4037617 via cif-deposit CGI script. |
4037617.cif |
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Users of the data should acknowledge the original authors of the
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