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Information card for entry 7224466
Preview
| Coordinates | 7224466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5-oxo-6S-hydroxycoronaridine |
|---|---|
| Formula | C21 H24 N2 O4 |
| Calculated formula | C21 H24 N2 O4 |
| SMILES | O(C(=O)[C@]12C[C@@H]3CN(C(=O)[C@@H](O)c4c5c([nH]c14)cccc5)[C@H]2[C@H](C3)CC)C |
| Title of publication | New Iboga-Type Alkaloids from Ervatamia hainanensis |
| Authors of publication | Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.44984 ± 0.00014 Å |
| b | 11.4893 ± 0.0002 Å |
| c | 21.3736 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1829.44 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0264 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177126 (current) | 2016-03-02 | cif/ Adding structures of 7224464, 7224465, 7224466, 7224467 via cif-deposit CGI script. |
7224466.cif |
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