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Information card for entry 1547853
Preview
| Coordinates | 1547853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (-)-Eburnamine |
|---|---|
| Formula | C19.5 H27 N2 O2 |
| Calculated formula | C19.5 H27 N2 O2 |
| SMILES | n12c3c(c4c1cccc4)CCN1CCC[C@@](C[C@H]2O)(CC)[C@H]31.O.OC |
| Title of publication | Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia. |
| Authors of publication | Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok |
| Journal of publication | Journal of natural products |
| Year of publication | 2017 |
| Journal volume | 80 |
| Journal issue | 11 |
| Pages of publication | 3014 - 3024 |
| a | 9.0112 ± 0.0003 Å |
| b | 9.8045 ± 0.0005 Å |
| c | 10.2163 ± 0.0004 Å |
| α | 89.964 ± 0.003° |
| β | 78.459 ± 0.003° |
| γ | 76.61 ± 0.004° |
| Cell volume | 859.33 ± 0.06 Å3 |
| Cell temperature | 145 ± 1 K |
| Ambient diffraction temperature | 145 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 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. |
1547853.cif |
| 214153 | 2019-03-18 | cif/1 Fixing Z values and formulae |
1547853.cif |
| 203988 | 2017-12-05 | cif/ Updating files of 1547851, 1547852, 1547853, 1547854, 1547855, 1547856, 1547857, 1547858 Original log message: Adding full bibliography for 1547851--1547858.cif. |
1547853.cif |
| 202491 | 2017-11-02 | cif/ Adding structures of 1547853 via cif-deposit CGI script. |
1547853.cif |
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Users of the data should acknowledge the original authors of the
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