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Information card for entry 1507802
Preview
| Coordinates | 1507802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H37 N O5 |
|---|---|
| Calculated formula | C25 H37 N O5 |
| SMILES | O1[C@](OC)(CC)CC[C@@]2([C@@]34C[C@@H](C(=O)OCC)[C@@H]5C3=C(C(=O)C5)CC[C@@H]2CN(C4)C)C1 |
| Title of publication | Daphmacromines A-J, Alkaloids from Daphniphyllum macropodum. |
| Authors of publication | Cao, Mingming; Zhang, Yu; He, Hongping; Li, Shifei; Huang, Shengdian; Chen, Duozhi; Tang, Guihua; Li, Shunlin; Di, Yingtong; Hao, Xiaojiang |
| Journal of publication | Journal of natural products |
| Year of publication | 2012 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 1076 - 1082 |
| a | 14.3257 ± 0.0004 Å |
| b | 14.3257 ± 0.0004 Å |
| c | 11.4299 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2345.71 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 76 |
| Hermann-Mauguin space group symbol | P 41 |
| Hall space group symbol | P 4w |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.