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Information card for entry 1519615
Preview
| Coordinates | 1519615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H31.5 N0.5 O2 |
|---|---|
| Calculated formula | C21 H31.5 N0.5 O2 |
| SMILES | O=C1C[C@H]2C(CCC[C@@]2([C@@H]2C1=C[C@]([C@H](O)C2)(C=C)C)C)(C)C.N#CC |
| Title of publication | Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora. |
| Authors of publication | Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 5 |
| Pages of publication | 1037 - 1044 |
| a | 6.3147 ± 0.0002 Å |
| b | 23.2682 ± 0.0009 Å |
| c | 25.4495 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3739.3 ± 0.2 Å3 |
| Cell temperature | 290.92 ± 0.1 K |
| Ambient diffraction temperature | 290.92 ± 0.1 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 | 0.0641 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519615.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1519615.cif |
| 138268 | 2015-06-05 | cif/ Updating files of 1519613, 1519614, 1519615 Original log message: Adding full bibliography for 1519613--1519615.cif. |
1519615.cif |
| 136304 | 2015-05-13 | cif/ Adding structures of 1519615 via cif-deposit CGI script. |
1519615.cif |
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Users of the data should acknowledge the original authors of the
structural data.