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Information card for entry 7062788
Preview
| Coordinates | 7062788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | DK-CP-504 |
|---|---|
| Formula | C21 H25 N O3 |
| Calculated formula | C21 H25 N O3 |
| SMILES | O1COc2c1ccc(c2)[C@H](CO)[C@H]1N(CCC1)[C@H](C)c1ccccc1 |
| Title of publication | Total synthesis of (−)-δ-lycorane |
| Authors of publication | Shukla, Jyoti; Gangwar, Manoj Kumar; Koley, Dipankar |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 41 |
| Pages of publication | 18900 - 18904 |
| a | 5.8887 ± 0.0008 Å |
| b | 8.3187 ± 0.0012 Å |
| c | 9.4843 ± 0.0013 Å |
| α | 108.948 ± 0.003° |
| β | 94.92 ± 0.004° |
| γ | 93.497 ± 0.004° |
| Cell volume | 435.86 ± 0.11 Å3 |
| Cell temperature | 423.15 K |
| Ambient diffraction temperature | 423.15 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287368 (current) | 2023-11-06 | cif/ Updating files of 7062788 Original log message: Adding full bibliography for 7062788.cif. |
7062788.cif |
| 286859 | 2023-10-10 | cif/ Adding structures of 7062788 via cif-deposit CGI script. |
7062788.cif |
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Users of the data should acknowledge the original authors of the
structural data.