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Information card for entry 1551806
Preview
| Coordinates | 1551806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H13 N5 O4 |
|---|---|
| Calculated formula | C9 H13 N5 O4 |
| SMILES | O=c1[nH]c(nc2n(cnc12)COC(CO)CO)N |
| Title of publication | Crystal Structure of Ganciclovir |
| Authors of publication | KAWAMURA, Tomoko; HIRAYAMA, Noriaki |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 51 |
| a | 4.3803 ± 0.0015 Å |
| b | 10.909 ± 0.004 Å |
| c | 11.601 ± 0.004 Å |
| α | 90° |
| β | 99.11 ± 0.03° |
| γ | 90° |
| Cell volume | 547.4 ± 0.3 Å3 |
| Cell temperature | 293.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.826 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216419 (current) | 2019-06-20 | cif/ Adding structures of 1551806 via cif-deposit CGI script. |
1551806.cif |
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Users of the data should acknowledge the original authors of the
structural data.