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Information card for entry 2003664
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| Coordinates | 2003664.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-[2-(methylamino)ethyl]-1,2-benzenediol 1-(dihydrogenphospate) hydrochloride |
|---|---|
| Formula | C9 H15 Cl N O5 P |
| Calculated formula | C9 H15 Cl N O5 P |
| Title of publication | Hydrogen-Bonding Stabilization of <i>N</i>-Methyldopamine 4-<i>O</i>-Dihydrogenphosphate in HCl Acidic Solution: Synthesis of Z2055, a New Dopaminergic Prodrug |
| Authors of publication | Ianelli, S.; Nardelli, M.; Doggi, F.; Norcini, G.; Santangelo, F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1338 - 1341 |
| a | 26.6 ± 0.01 Å |
| b | 12.219 ± 0.002 Å |
| c | 7.822 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2542.3 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1368 |
| Residual factor for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections | 0.2299 |
| Weighted residual factors for significantly intense reflections | 0.2085 |
| Goodness-of-fit parameter for all reflections | 1.27 |
| Goodness-of-fit parameter for significantly intense reflections | 1.325 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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