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Information card for entry 2012057
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| Coordinates | 2012057.cif |
|---|---|
| Structure factors | 2012057.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-[(2-hydroxyethoxy)methyl]-6-methyl-3H-imidazol[1,2-a]purin-9(5H)-one |
|---|---|
| Formula | C11 H17 N5 O5 |
| Calculated formula | C11 H17 N5 O5 |
| Title of publication | Water molecules in the crystal structure of tricyclic acyclovir |
| Authors of publication | Suwińska, Kinga; Golankiewicz, Bożenna; Zielenkiewicz, Wojciech |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 767 - 769 |
| a | 8.45 ± 0.001 Å |
| b | 11.665 ± 0.002 Å |
| c | 14.93 ± 0.003 Å |
| α | 75.44 ± 0.02° |
| β | 76.65 ± 0.02° |
| γ | 86.44 ± 0.02° |
| Cell volume | 1385.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.145 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.