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Information card for entry 7160512
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| Coordinates | 7160512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | dimethyl (E)-2-(1-(2-fluorobenzamido)-2-oxo-2-phenylethylidene)succinate |
|---|---|
| Formula | C21 H18 F N O6 |
| Calculated formula | C21 H18 F N O6 |
| Title of publication | Hydrogen-Bonding-Controlled Stereospecific Synthesis of Z-Enamides |
| Authors of publication | Zhang, Xiaoyu; Lu, Xiangyu; Zou, Yajun; Lang, Jia-Jia; Zhao, Gang; Wang, Ying-Wei |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.242 ± 0.003 Å |
| b | 10.902 ± 0.004 Å |
| c | 11.076 ± 0.004 Å |
| α | 98.407 ± 0.009° |
| β | 109.822 ± 0.008° |
| γ | 107.406 ± 0.009° |
| Cell volume | 962.9 ± 0.6 Å3 |
| Cell temperature | 303 ± 2 K |
| Ambient diffraction temperature | 303 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1299 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.1831 |
| Weighted residual factors for all reflections included in the refinement | 0.2267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299377 (current) | 2025-04-24 | cif/ Adding structures of 7160511, 7160512 via cif-deposit CGI script. |
7160512.cif |
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Users of the data should acknowledge the original authors of the
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