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CIF Information Card
Information card for 2015260
2015259 << 2015260 >> 2015261Preview
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Coordinates |
2015260.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 4-Amino-7-(2-deoxy-2-fluoro-\b-D-arabinofuranosyl)-5-fluoro- 7H-pyrrolo[2,3-d]pyrimidine |
| Formula | - C11 H12 F2 N4 O3 - |
| Calculated formula | - C11 H12 F2 N4 O3 - |
| Title of publication | 4-Amino-7-(2-deoxy-2-fluoro-β-<i>D</i>-arabinofuranosyl)-5-fluoro- 7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine: a bis-fluorinated analogue of 2'-deoxytubercidin |
| Authors of publication | Seela, Frank; Chittepu, Padmaja; Eickmeier, Henning |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o231 - o233 |
| a | 5.7355 ± 0.0006 Å |
| b | 9.8374 ± 0.0013 Å |
| c | 10.9428 ± 0.0013 Å |
| α | 90° |
| β | 97.856 ± 0.009° |
| γ | 90° |
| Cell volume | 611.62 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.0458 |
| Residual factor for observed reflections | 0.0385 |
| Weighted residual factors for the observed reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1015 |
| Goodness-of-fit parameter for observed reflections | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |