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Information card for entry 7225230
Preview
| Coordinates | 7225230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H19 N O4 |
|---|---|
| Calculated formula | C15 H19 N O4 |
| SMILES | O=C1N([C@H]([C@H](C1)C(=O)O)c1ccc(OC)cc1)C(C)C |
| Title of publication | The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide |
| Authors of publication | Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.62011 ± 0.00017 Å |
| b | 11.1647 ± 0.0002 Å |
| c | 11.78218 ± 0.00019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1397.02 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0273 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182930 (current) | 2016-05-13 | cif/ Adding structures of 7225223, 7225224, 7225225, 7225226, 7225227, 7225228, 7225229, 7225230, 7225231, 7225232 via cif-deposit CGI script. |
7225230.cif |
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Users of the data should acknowledge the original authors of the
structural data.