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Information card for entry 1529284
Preview
| Coordinates | 1529284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H27 N O2 |
|---|---|
| Calculated formula | C17 H27 N O2 |
| SMILES | O=C1[C@H]2[C@@]3([C@H](C1)C[C@H](C[C@@H]3O)C)C[C@@H]1CN(C)CC[C@H]21 |
| Title of publication | Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone. |
| Authors of publication | Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 15 |
| Pages of publication | 3938 - 3940 |
| a | 8.2578 ± 0.0003 Å |
| b | 7.6701 ± 0.0003 Å |
| c | 12.4589 ± 0.0005 Å |
| α | 90° |
| β | 99.389 ± 0.003° |
| γ | 90° |
| Cell volume | 778.55 ± 0.05 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1529284.cif |
| 176428 | 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. |
1529284.cif |
| 154770 | 2015-09-06 | cif/ Updating files of 1529283, 1529284, 1529285 Original log message: Adding full bibliography for 1529283--1529285.cif. |
1529284.cif |
| 152528 | 2015-07-25 | cif/ Adding structures of 1529284 via cif-deposit CGI script. |
1529284.cif |
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Users of the data should acknowledge the original authors of the
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