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Information card for entry 1544014
Preview
| Coordinates | 1544014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H26 N2 O2 |
|---|---|
| Calculated formula | C20 H26 N2 O2 |
| SMILES | O([C@H]1N2[C@]3([C@@H]4N(CC3)CCC[C@]4(CC)C1)C(=O)c1c2cccc1)C |
| Title of publication | Melokhanines A-J, Bioactive Monoterpenoid Indole Alkaloids with Diverse Skeletons from Melodinus khasianus. |
| Authors of publication | Cheng, Gui-Guang; Li, Dan; Hou, Bo; Li, Xiao-Nian; Liu, Lu; Chen, Ying-Ying; Lunga, Paul-Keilah; Khan, Afsar; Liu, Ya-Ping; Zuo, Zhi-Li; Luo, Xiao-Dong |
| Journal of publication | Journal of natural products |
| Year of publication | 2016 |
| Journal volume | 79 |
| Journal issue | 9 |
| Pages of publication | 2158 - 2166 |
| a | 8.9399 ± 0.0002 Å |
| b | 12.3247 ± 0.0002 Å |
| c | 15.5926 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1718.02 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0274 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0697 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544014.cif |
| 186956 | 2016-10-05 | cif/ Updating files of 1544014 Original log message: Adding full bibliography for 1544014.cif. |
1544014.cif |
| 186155 | 2016-09-06 | cif/ Adding structures of 1544014 via cif-deposit CGI script. |
1544014.cif |
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Users of the data should acknowledge the original authors of the
structural data.