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Information card for entry 2003512
Preview
| Coordinates | 2003512.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C18 H23 N O3 |
|---|---|
| Calculated formula | C18 H23 N O3 |
| SMILES | OC[C@@H](c1ccccc1)N(Cc1ccc(c(c1)OC)OC)C |
| Title of publication | The Effect of Substituents on the Crystal Structure of β-Amino Alcohols. 2-[(3,4-Dimethoxybenzyl)(methyl)amino]-2-phenylethanol |
| Authors of publication | Urtiaga, M. K.; Arriortua, M. I.; Badía, D.; Domínguez, E.; González-Cameno, A. M.; Ochando, L.; Reventos, M.; Debaerdemaeker, T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 6 |
| Pages of publication | 1175 - 1177 |
| a | 10.731 ± 0.006 Å |
| b | 18.016 ± 0.006 Å |
| c | 8.347 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1613.7 ± 1.4 Å3 |
| Cell temperature | 295 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 | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.15 |
| Goodness-of-fit parameter for significantly intense reflections | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.