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Information card for entry 7224465
Preview
| Coordinates | 7224465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3S-(24S-hydroxyethyl)-coronaridine |
|---|---|
| Formula | C23 H30 N2 O3 |
| Calculated formula | C23 H30 N2 O3 |
| SMILES | O[C@H]([C@H]1N2CCc3c([nH]c4c3cccc4)[C@@]3(C[C@H]1C[C@H](CC)[C@H]23)C(=O)OC)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 | 9.7015 ± 0.0008 Å |
| b | 10.7426 ± 0.0008 Å |
| c | 10.0282 ± 0.001 Å |
| α | 90° |
| β | 107.663 ± 0.01° |
| γ | 90° |
| Cell volume | 995.86 ± 0.16 Å3 |
| Cell temperature | 173 ± 0.3 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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. |
7224465.cif |
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Users of the data should acknowledge the original authors of the
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