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Information card for entry 1555038
Preview
| Coordinates | 1555038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H13 N5 O4 |
|---|---|
| Calculated formula | C9 H13 N5 O4 |
| SMILES | O=C1N(NC2(N(C(=O)N(C2=O)C)C)C(=O)N1C)C |
| Title of publication | A unique spiro-β-triazinedione-γ-hydantoin type alkaloid with antiviral activity against tobacco mosaic virus from Streptomyces gamaensis |
| Authors of publication | Guo, Xiaowei; Wang, Jidong; Su, Can; Liu, Chongxi; Ma, Xiao-Yan; Yu, Zhiyin; Li, Jiansong; Wang, Xiangjing; Xiang, Wensheng; Huang, Sheng-Xiong |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 18 |
| Pages of publication | 3215 |
| a | 8.3117 ± 0.0002 Å |
| b | 17.2043 ± 0.0004 Å |
| c | 8.3018 ± 0.0002 Å |
| α | 90° |
| β | 103.231 ± 0.001° |
| γ | 90° |
| Cell volume | 1155.62 ± 0.05 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 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 | 0.0485 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.674 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555038.cif |
| 238286 | 2019-11-24 | cif/ Adding structures of 1555038 via cif-deposit CGI script. |
1555038.cif |
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Users of the data should acknowledge the original authors of the
structural data.