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Information card for entry 7158166
Preview
| Coordinates | 7158166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | SM569 |
|---|---|
| Formula | C8 H4 F3 I N2 O3 |
| Calculated formula | C8 H4 F3 I N2 O3 |
| Title of publication | A bench-stable N-trifluoroacetyl nitrene equivalent for a simple synthesis of 2-trifluoromethyl oxazoles. |
| Authors of publication | Kobayashi, Yusuke; Masakado, Sota; Murai, Takuya; Hamada, Shohei; Furuta, Takumi; Takemoto, Yoshiji |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 30 |
| Pages of publication | 6628 - 6632 |
| a | 4.9637 ± 0.0002 Å |
| b | 20.0442 ± 0.0007 Å |
| c | 10.3335 ± 0.0004 Å |
| α | 90° |
| β | 101.298 ± 0.004° |
| γ | 90° |
| Cell volume | 1008.19 ± 0.07 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 6 |
| 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 | 0.065 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1774 |
| Weighted residual factors for all reflections included in the refinement | 0.1789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268944 (current) | 2021-09-06 | cif/ Updating files of 7158166 Original log message: Adding full bibliography for 7158166.cif. |
7158166.cif |
| 267363 | 2021-07-08 | cif/ Adding structures of 7158166 via cif-deposit CGI script. |
7158166.cif |
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