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Information card for entry 4038325
Preview
| Coordinates | 4038325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 N O3 S |
|---|---|
| Calculated formula | C22 H17 N O3 S |
| Title of publication | Oxidative Cyclization of <i>o</i>-(1-Hydroxy-2-alkynyl)-<i>N</i>-tosylanilides for Synthesis of 4-Quinolones. |
| Authors of publication | Ueda, Jun-Ichi; Enomoto, Yuuki; Seki, Mizuki; Konishi, Takuma; Ogasawara, Masamichi; Yoshida, Kazuhiro |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 16.4905 ± 0.001 Å |
| b | 12.0256 ± 0.0007 Å |
| c | 9.3656 ± 0.0006 Å |
| α | 90° |
| β | 98.8943 ± 0.0007° |
| γ | 90° |
| Cell volume | 1834.94 ± 0.19 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| 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 | 0.0461 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251509 (current) | 2020-05-05 | cif/ Adding structures of 4038325 via cif-deposit CGI script. |
4038325.cif |
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Users of the data should acknowledge the original authors of the
structural data.