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Information card for entry 1544318
Preview
| Coordinates | 1544318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cononuridine methyl iodide |
|---|---|
| Formula | C20 H23 I N2 O2 |
| Calculated formula | C20 H23 I N2 O2 |
| SMILES | [I-].[nH]1c2[C@@H]3C[C@@H]4C[N+]5(O[C@]([C@@H]3[C@H]5Cc2c2c1cccc2)(C4)C(=O)C)C |
| Title of publication | A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine. |
| Authors of publication | Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok |
| Journal of publication | Journal of natural products |
| Year of publication | 2016 |
| Journal volume | 79 |
| Journal issue | 10 |
| Pages of publication | 2709 - 2717 |
| a | 7.6879 ± 0.0008 Å |
| b | 13.0251 ± 0.0014 Å |
| c | 18.905 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1893.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0606 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187935 (current) | 2016-11-06 | cif/ Updating files of 1544317, 1544318 Original log message: Adding full bibliography for 1544317--1544318.cif. |
1544318.cif |
| 187428 | 2016-10-20 | cif/ Adding structures of 1544318 via cif-deposit CGI script. |
1544318.cif |
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