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Information card for entry 1553293
Preview
| Coordinates | 1553293.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 N2 O3 |
|---|---|
| Calculated formula | C13 H12 N2 O3 |
| SMILES | O=C(c1c[nH]c([C@@H](O)c2ccccc2)cc1=O)N |
| Title of publication | Penipyridones A-F, Pyridone Alkaloids from Penicillium funiculosum. |
| Authors of publication | Zhou, Haibo; Li, Liyuan; Wu, Chongming; Kurtán, Tibor; Mándi, Attila; Liu, Yankai; Gu, Qianqun; Zhu, Tianjiao; Guo, Peng; Li, Dehai |
| Journal of publication | Journal of natural products |
| Year of publication | 2016 |
| Journal volume | 79 |
| Journal issue | 7 |
| Pages of publication | 1783 - 1790 |
| a | 6.5201 ± 0.0001 Å |
| b | 7.2318 ± 0.0001 Å |
| c | 24.7168 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1165.45 ± 0.03 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234063 (current) | 2019-11-23 | cif/ Adding structures of 1553293 via cif-deposit CGI script. |
1553293.cif |
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Users of the data should acknowledge the original authors of the
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