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Information card for entry 2000757
Preview
| Coordinates | 2000757.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C27 H28 N2 O4 |
|---|---|
| Calculated formula | C27 H28 N2 O4 |
| SMILES | O=C1Oc2c(N1C)cc1c(c2)CCN(C1Cc1ccc(c(c1)OC)OC)Cc1ccccc1 |
| Title of publication | Structure of 6-benzyl-5-(3,4-dimethoxybenzyl)-3-methyl-5,6,7,8-tetrahydro-3<i>H</i>-oxazolo[5,4-<i>g</i>]isoquinolin-2-one |
| Authors of publication | Warin, V.; Lamiot, J.; Baert, F.; Ait Mansour, H.; Houssin, R.; Lesieur, D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 7 |
| Pages of publication | 1243 - 1246 |
| a | 7.961 ± 0.005 Å |
| b | 11.863 ± 0.006 Å |
| c | 24.873 ± 0.008 Å |
| α | 90° |
| β | 92.29 ± 0.01° |
| γ | 90° |
| Cell volume | 2347 ± 2 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | Mo |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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