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Information card for entry 1529298
Preview
| Coordinates | 1529298.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H44 N4 O6 |
|---|---|
| Calculated formula | C40 H44 N4 O6 |
| SMILES | O=C1N2[C@H]3C[C@@]1([C@@H]1OC[C@H]3[C@@H](C1)/C(=C/C)C2)c1ccc(OC)cc1N=Nc1c([C@]23C(=O)N4[C@@H](C3)[C@@H]3[C@@H](C[C@H]2OC3)/C(=C/C)C4)ccc(OC)c1 |
| Title of publication | Geleganidines A-C, Unusual Monoterpenoid Indole Alkaloids from Gelsemium elegans. |
| Authors of publication | Zhang, Wei; Huang, Xiao-Jun; Zhang, Sheng-Yuan; Zhang, Dong-Mei; Jiang, Ren-Wang; Hu, Jian-Yang; Zhang, Xiao-Qi; Wang, Lei; Ye, Wen-Cai |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 8 |
| Pages of publication | 2036 - 2044 |
| a | 9.9993 ± 0.0002 Å |
| b | 12.9855 ± 0.0002 Å |
| c | 13.4171 ± 0.0002 Å |
| α | 90° |
| β | 110.184 ± 0.002° |
| γ | 90° |
| Cell volume | 1635.17 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 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 | 0.0435 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529298.cif |
| 154676 | 2015-09-06 | cif/ Updating files of 1529298 Original log message: Adding full bibliography for 1529298.cif. |
1529298.cif |
| 152614 | 2015-07-30 | cif/ Adding structures of 1529298 via cif-deposit CGI script. |
1529298.cif |
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Users of the data should acknowledge the original authors of the
structural data.