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CIF Information Card
Information card for 1500024
1500023 << 1500024 >> 1500026Preview
|
Coordinates |
1500024.cif |
Structure parameters
| Common name | bethanechol chloride |
| Formula | - C7 H17 Cl N2 O2 - |
| Calculated formula | - C7 H17 Cl N2 O2 - |
| Title of publication | <i>Ab initio</i> structure determination of bethanechol chloride |
| Authors of publication | Armel Le Bail |
| Journal of publication | Powder Diffraction |
| Year of publication | 2010 |
| Journal volume | 25 |
| a | 8.8749 ± 0.0003 Å |
| b | 16.4118 ± 0.0007 Å |
| c | 7.1373 ± 0.0003 Å |
| α | 90° |
| β | 93.8031 ± 0.001° |
| γ | 90° |
| Cell volume | 1037.28 ± 0.07 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor R(I) for significantly intense reflections | 3.5799 |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |