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Information card for entry 1540730
Preview
| Coordinates | 1540730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Paucidirisine |
|---|---|
| Formula | C25 H28 Cl2 N2 O3 |
| Calculated formula | C25 H28 Cl2 N2 O3 |
| SMILES | [C@@]123[C@]4(CCN5C6=CC(=O)C[C@H]6C[C@](C[C@H]1C(=O)OC)(CC2)[C@@H]45)c1ccccc1N3.C(Cl)Cl |
| Title of publication | Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora. |
| Authors of publication | Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok |
| Journal of publication | Journal of natural products |
| Year of publication | 2016 |
| Journal volume | 79 |
| Journal issue | 1 |
| Pages of publication | 230 - 239 |
| a | 6.662 ± 0.0004 Å |
| b | 9.811 ± 0.0005 Å |
| c | 34.444 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2251.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1258 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.853 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1540730.cif |
| 175792 | 2016-02-04 | cif/ Updating files of 1540726, 1540727, 1540728, 1540729, 1540730, 1540731 Original log message: Adding full bibliography for 1540726--1540731.cif. |
1540730.cif |
| 171768 | 2015-12-31 | cif/ Adding structures of 1540730 via cif-deposit CGI script. |
1540730.cif |
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Users of the data should acknowledge the original authors of the
structural data.