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Information card for entry 7240050
Preview
| Coordinates | 7240050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H11 N O4 |
|---|---|
| Calculated formula | C9 H11 N O4 |
| SMILES | O1/C(=C/C(=O)OC)[C@H]2N(C1=O)CCC2 |
| Title of publication | Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues |
| Authors of publication | Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 12 |
| Pages of publication | 6790 - 6793 |
| a | 7.2347 ± 0.0002 Å |
| b | 12.4282 ± 0.0002 Å |
| c | 20.6075 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1852.91 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0269 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240050.cif |
| 258141 | 2020-10-06 | cif/ Updating files of 7240050, 7240051, 7240052 Original log message: Adding full bibliography for 7240050--7240052.cif. |
7240050.cif |
| 248790 | 2020-03-05 | cif/ Adding structures of 7240050, 7240051, 7240052 via cif-deposit CGI script. |
7240050.cif |
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Users of the data should acknowledge the original authors of the
structural data.