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Information card for entry 1553321
Preview
| Coordinates | 1553321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 N O5 |
|---|---|
| Calculated formula | C19 H15 N O5 |
| SMILES | O1c2c(OC1)cc1ccnc(c1c2)C(c1c(O)c2OCOc2cc1)C |
| Title of publication | Mucroniferanines A-G, Isoquinoline Alkaloids from Corydalis mucronifera. |
| Authors of publication | Zhang, Jun; Zhang, Qing-Ying; Tu, Peng-Fei; Xu, Fu-Chun; Liang, Hong |
| Journal of publication | Journal of natural products |
| Year of publication | 2018 |
| Journal volume | 81 |
| Journal issue | 2 |
| Pages of publication | 364 - 370 |
| a | 6.93466 ± 0.00008 Å |
| b | 9.91657 ± 0.00011 Å |
| c | 11.54675 ± 0.00014 Å |
| α | 71.8945 ± 0.001° |
| β | 84.5865 ± 0.001° |
| γ | 75.6285 ± 0.001° |
| Cell volume | 730.985 ± 0.016 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234099 (current) | 2019-11-23 | cif/ Adding structures of 1553321 via cif-deposit CGI script. |
1553321.cif |
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Users of the data should acknowledge the original authors of the
structural data.