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CIF Information Card
Information card for 1100190
1100189 << 1100190 >> 1100191Preview
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Coordinates |
1100190.cif |
Structure parameters
| Chemical name | ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphth alen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate |
| Formula | - C22 H28.66 N2 O2.33 - |
| Calculated formula | - C26 H38 N2 O3 - |
| Authors of publication | T.Bach; H.Bergmann; B.Grosch; K.Harms; E.Herdtweck |
| Journal of publication | Synthesis |
| Year of publication | 2001 |
| Pages of publication | 1395 |
| a | 7.6183 ± 0.0002 Å |
| b | 16.092 ± 0.0006 Å |
| c | 16.4887 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2021.41 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Residual factor for observed reflections | 3.06 |
| Weighted residual factors for the observed reflections | 3.06 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |