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CIF Information Card
Information card for 1100259
1100258 << 1100259 >> 1100260Preview
|
Coordinates |
1100259.cif |
Structure parameters
| Chemical name | (1R)-2-(5-Pyrimidinyl)-8-azoniabicyclo(3.2.1)oct-2-ene oxalate 2-propanol solv ate |
| Formula | - C16 H23 N3 O5 - |
| Calculated formula | - C16.5 H23.5 N3 O5.5 - |
| Authors of publication | D.Gundisch; K.Harms; S.Schwarz; G.Seitz; M.T.Stubbs; T.Wegge |
| Journal of publication | Bioorg.Med.Chem. |
| Year of publication | 2001 |
| Journal volume | 9 |
| Pages of publication | 2683 |
| a | 10.8874 ± 0.0007 Å |
| b | 11.2061 ± 0.0009 Å |
| c | 14.4504 ± 0.0012 Å |
| α | 90° |
| β | 108.246 ± 0.007° |
| γ | 90° |
| Cell volume | 1674.38 Å3 |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for observed reflections | 5.62 |
| Weighted residual factors for the observed reflections | 5.62 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |