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Information card for entry 1555704
Preview
| Coordinates | 1555704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H21 N O2 |
|---|---|
| Calculated formula | C16 H21 N O2 |
| SMILES | O=C1O[C@H]2[C@H]3CCCN4CC=CC(=CC2)[C@]34C[C@H]1C |
| Title of publication | Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum. |
| Authors of publication | Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 17 |
| Pages of publication | 4376 - 4379 |
| a | 8.7114 ± 0.0002 Å |
| b | 9.1691 ± 0.0002 Å |
| c | 16.9047 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1350.27 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 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 | 0.0349 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239035 (current) | 2019-11-24 | cif/ Adding structures of 1555704 via cif-deposit CGI script. |
1555704.cif |
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