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Information card for entry 2100912
Preview
| Coordinates | 2100912.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C9 H14 N4 O |
|---|---|
| Calculated formula | C9 H14 N4 O |
| SMILES | o1nc(nc1C1C2CCN(C1)CC2)N |
| Title of publication | Structure and conformation of the muscarinic agonists 3-(3-amino-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octane and 1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxaldehyde oxime and related tertiary amine, quaternary ammonium and sulfonium analogues |
| Authors of publication | Kooijman, H.; Kanters, J. A.; Kroon, J.; Kelder, J. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1993 |
| Journal volume | 49 |
| Journal issue | 2 |
| Pages of publication | 356 - 366 |
| a | 6.607 ± 0.001 Å |
| b | 8.2157 ± 0.0008 Å |
| c | 9.287 ± 0.001 Å |
| α | 105.52 ± 0.01° |
| β | 93.88 ± 0.01° |
| γ | 91.79 ± 0.01° |
| Cell volume | 483.98 ± 0.1 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo |
| 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.