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Information card for entry 1520708
Preview
| Coordinates | 1520708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H15 N3 O4 |
|---|---|
| Calculated formula | C15 H15 N3 O4 |
| Title of publication | (+)- and (-)-Spiroreticulatine, A Pair of Unusual Spiro Bisheterocyclic Quinoline-imidazole Alkaloids from the South China Sea Sponge Fascaplysinopsis reticulata. |
| Authors of publication | Wang, Qi; Tang, Xuli; Luo, Xiangchao; de Voogd, Nicole J.; Li, Pinglin; Li, Guoqiang |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 14 |
| Pages of publication | 3458 - 3461 |
| a | 11.4762 ± 0.0003 Å |
| b | 7.95324 ± 0.00015 Å |
| c | 16.5869 ± 0.0005 Å |
| α | 90° |
| β | 107.894 ± 0.003° |
| γ | 90° |
| Cell volume | 1440.7 ± 0.07 Å3 |
| Cell temperature | 294.39 ± 0.1 K |
| Ambient diffraction temperature | 294.39 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520708.cif |
| 152919 | 2015-08-05 | cif/ Updating files of 1520708 Original log message: Adding full bibliography for 1520708.cif. |
1520708.cif |
| 139826 | 2015-07-01 | cif/ Adding structures of 1520708 via cif-deposit CGI script. |
1520708.cif |
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Users of the data should acknowledge the original authors of the
structural data.