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Information card for entry 7160511
Preview
| Coordinates | 7160511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | dimethyl (Z)-2-(1-benzamido-2-oxo-2-phenylethylidene)succinate |
|---|---|
| Formula | C21 H19 N O6 |
| Calculated formula | C21 H19 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 | 5.6083 ± 0.0015 Å |
| b | 12.004 ± 0.004 Å |
| c | 14.983 ± 0.005 Å |
| α | 78.692 ± 0.011° |
| β | 84.933 ± 0.01° |
| γ | 79.177 ± 0.01° |
| Cell volume | 970.1 ± 0.5 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1213 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299377 (current) | 2025-04-24 | cif/ Adding structures of 7160511, 7160512 via cif-deposit CGI script. |
7160511.cif |
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Users of the data should acknowledge the original authors of the
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