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Information card for entry 1547128
Preview
| Coordinates | 1547128.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H24 N O6.5 |
|---|---|
| Calculated formula | C17 H24 N O6.5 |
| SMILES | O([C@@H]1[C@@H](O)[C@@H]2[C@@H]3N(=O)(Cc4cc(OC)c(O)cc24)CCC3=C1)C.O.O |
| Title of publication | Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata. |
| Authors of publication | Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin |
| Journal of publication | Journal of natural products |
| Year of publication | 2017 |
| Journal volume | 80 |
| Journal issue | 9 |
| Pages of publication | 2462 - 2471 |
| a | 25.998 ± 0.002 Å |
| b | 12.1491 ± 0.0011 Å |
| c | 11.3547 ± 0.0011 Å |
| α | 90° |
| β | 103.78 ± 0.005° |
| γ | 90° |
| Cell volume | 3483.2 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1614 |
| Weighted residual factors for all reflections included in the refinement | 0.1682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1547128.cif |
| 217633 | 2019-08-21 | cif/1: Fixing Z values and formulae |
1547128.cif |
| 201749 | 2017-10-05 | cif/ Updating files of 1547128, 1547129 Original log message: Adding full bibliography for 1547128--1547129.cif. |
1547128.cif |
| 200791 | 2017-09-13 | cif/ Adding structures of 1547128 via cif-deposit CGI script. |
1547128.cif |
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Users of the data should acknowledge the original authors of the
structural data.