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Information card for entry 1559951
Preview
| Coordinates | 1559951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Methyl-1,1-Diphenyl-3-(1-piperidyl)-1-propanol Mandelate |
|---|---|
| Formula | C29 H35 N O4 |
| Calculated formula | C29 N O4 |
| SMILES | OC(c1ccccc1)(c1ccccc1)[C@H](C)C[NH+]1CCCCC1.O=C([O-])[C@@H](O)c1ccccc1 |
| Title of publication | Anticholinergic Agents. 2. Absolute Configurations of 2-Methyl-1,1-Diphenyl-3-(1-piperidyl)-1-propanol and 2-Methyl-1,1-diphenyl-3-(1-pyrrolidyl)-1-propanol. Crystal Structures of the Corresponding Mandelates |
| Authors of publication | Sjo, Peter; Groth, Per; Aasen, Arne Jorgen |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1990 |
| Journal volume | 44 |
| Pages of publication | 957 - 962 |
| a | 9.951 ± 0.002 Å |
| b | 14.645 ± 0.002 Å |
| c | 17.163 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2501.2 ± 0.7 Å3 |
| Ambient diffraction temperature | 296 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 significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| 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 |
|---|---|---|---|
| 260529 (current) | 2021-01-05 | cif/ Adding structures of 1559951 via cif-deposit CGI script. |
1559951.cif |
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Users of the data should acknowledge the original authors of the
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