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Information card for entry 1555354
Preview
| Coordinates | 1555354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H32 N2 O |
|---|---|
| Calculated formula | C18 H32 N2 O |
| SMILES | O=C(N1CCC[C@H]2[C@@H]1C[C@@H](C[C@H]2C[C@H]1NCCCC1)C)C |
| Title of publication | Approach to cis-Phlegmarine Alkaloids via Stereodivergent Reduction: Total Synthesis of (+)-Serratezomine E and Putative Structure of (-)-Huperzine N. |
| Authors of publication | Bosch, Caroline; Fiser, Béla; Gómez-Bengoa, Enrique; Bradshaw, Ben; Bonjoch, Josep |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 20 |
| Pages of publication | 5084 - 5087 |
| a | 5.287 ± 0.0002 Å |
| b | 9.4826 ± 0.0003 Å |
| c | 34.033 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1706.23 ± 0.1 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 | 0.0401 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555354.cif |
| 238539 | 2019-11-24 | cif/ Adding structures of 1555354 via cif-deposit CGI script. |
1555354.cif |
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Users of the data should acknowledge the original authors of the
structural data.