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Information card for entry 1556104
Preview
| Coordinates | 1556104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 N O3 S |
|---|---|
| Calculated formula | C19 H19 N O3 S |
| SMILES | O1C[C@@H]2Cc3ccccc3[C@H]([C@H]1Sc1ccccc1)N2C(=O)OC.O1C[C@H]2Cc3ccccc3[C@@H]([C@@H]1Sc1ccccc1)N2C(=O)OC |
| Title of publication | New strategy for the synthesis of tetrahydroisoquinoline alkaloids. |
| Authors of publication | Magnus, Philip; Matthews, Kenneth S.; Lynch, Vince |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 12 |
| Pages of publication | 2181 - 2184 |
| a | 11.0472 ± 0.0002 Å |
| b | 7.6308 ± 0.0001 Å |
| c | 19.6869 ± 0.0003 Å |
| α | 90° |
| β | 92.423 ± 0.001° |
| γ | 90° |
| Cell volume | 1658.1 ± 0.04 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243468 (current) | 2019-11-26 | cif/ Adding structures of 1556104, 1556105 via cif-deposit CGI script. |
1556104.cif |
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Users of the data should acknowledge the original authors of the
structural data.