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Information card for entry 7240251
Preview
| Coordinates | 7240251.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H27 N3 O6 |
|---|---|
| Calculated formula | C25 H27 N3 O6 |
| Title of publication | Synthesis of highly substituted tetrahydroquinolines using ethyl cyanoacetate via aza-Michael–Michael addition |
| Authors of publication | Palanimuthu, Arunan; Chen, Chinpiao; Lee, Gene-Hsian |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 23 |
| Pages of publication | 13591 - 13600 |
| a | 11.8148 ± 0.0003 Å |
| b | 9.6634 ± 0.0002 Å |
| c | 20.8234 ± 0.0005 Å |
| α | 90° |
| β | 98.5727 ± 0.001° |
| γ | 90° |
| Cell volume | 2350.87 ± 0.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7240251.cif |
| 258112 | 2020-10-06 | cif/ Updating files of 7240251, 7240252 Original log message: Adding full bibliography for 7240251--7240252.cif. |
7240251.cif |
| 250087 | 2020-04-04 | cif/ Adding structures of 7240251, 7240252 via cif-deposit CGI script. |
7240251.cif |
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Users of the data should acknowledge the original authors of the
structural data.