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Information card for entry 4132162
Preview
| Coordinates | 4132162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | nv236-E1 |
|---|---|
| Formula | C17 H19 N O3 |
| Calculated formula | C17 H19 N O3 |
| SMILES | C(#N)C[C@]1(C(=O)CCc2c1c(c(cc2)OC)OC)CC=C |
| Title of publication | Total Synthesis of the Norhasubanan Alkaloid Stephadiamine. |
| Authors of publication | Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 28 |
| Pages of publication | 8675 - 8680 |
| a | 7.6599 ± 0.0002 Å |
| b | 8.342 ± 0.0002 Å |
| c | 23.4353 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1497.49 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0459 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4132162.cif |
| 242196 | 2019-11-26 | cif/ Adding structures of 4132153, 4132154, 4132155, 4132156, 4132157, 4132158, 4132159, 4132160, 4132161, 4132162, 4132163, 4132164, 4132165, 4132166, 4132167, 4132168 via cif-deposit CGI script. |
4132162.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.