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Information card for entry 1559079
Preview
| Coordinates | 1559079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6,7-Dimethoxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline |
|---|---|
| Formula | C17 H20 Cl N O2 |
| Calculated formula | C17 Cl N O2 |
| SMILES | [Cl-].O(c1cc2[C@H](C[NH2+]Cc2cc1OC)c1ccccc1)C |
| Title of publication | Resolution and Absolute Stereochemistry of 6,7-Dimethoxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline. The Crystal Structure of the R-Hydrochloride Salt Form |
| Authors of publication | Mondeshka, Diana; Angelova, Ivanka; Stensland, Birgitta; Werner, Per-Erik; Ivanov, Chavdor |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 54 - 59 |
| a | 13.369 ± 0.002 Å |
| b | 5.455 ± 0.002 Å |
| c | 11.171 ± 0.003 Å |
| α | 90° |
| β | 95.8 ± 0.02° |
| γ | 90° |
| Cell volume | 810.5 ± 0.4 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.0416 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256404 (current) | 2020-09-14 | cif/ Adding structures of 1559079 via cif-deposit CGI script. |
1559079.cif |
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