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CIF Information Card
Information card for 2015281
2015280 << 2015281 >> 2015282Preview
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Coordinates |
2015281.cif |
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Structure factors |
2015281.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | 1,3-Dimethylisoguanine |
| Chemical name | 6-amino-1,3-dimethyl-1H-purin-2(3H)-one |
| Formula | - C7 H9 N5 O - |
| Calculated formula | - C7 H9 N5 O - |
| Title of publication | 1,3-Dimethylisoguanine |
| Authors of publication | Kanda Panthong; Mary J. Garson; Paul V. Bernhardt |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o193 - o195 |
| a | 8.9352 ± 0.0009 Å |
| b | 6.105 ± 0.0006 Å |
| c | 14.678 ± 0.002 Å |
| α | 90° |
| β | 96.37 ± 0.01° |
| γ | 90° |
| Cell volume | 795.73 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1217 |
| Residual factor for observed reflections | 0.0542 |
| Weighted residual factors for the observed reflections | 0.136 |
| Weighted residual factors for all reflections included in the refinement | 0.1662 |
| Goodness-of-fit parameter for observed reflections | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |