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CIF Information Card
Information card for 1100189
1100188 << 1100189 >> 1100190Preview
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Coordinates |
1100189.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 | 7.6041 ± 0.0008 Å |
| b | 15.9342 ± 0.0011 Å |
| c | 16.4592 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1994.28 Å3 |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Residual factor for observed reflections | 3.05 |
| Weighted residual factors for the observed reflections | 3.05 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |