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Information card for entry 2202488
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| Coordinates | 2202488.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Gemcitabine Hydrochloride |
|---|---|
| Chemical name | 2'-deoxy-2',2'-difluorocytidine monohydrochloride |
| Formula | C9 H12 Cl F2 N3 O4 |
| Calculated formula | C9 H12 Cl F2 N3 O4 |
| SMILES | [Cl-].FC1(F)[C@@H](O[C@@H]([C@H]1O)CO)N1C(=O)[NH+]=C(C=C1)N |
| Title of publication | 2'-Deoxy-2',2'-difluorocytidine monohydrochloride (Gemcitabine hydrochloride) |
| Authors of publication | A. Sivalakshmidevi; K. Vyas; S. D. V. N. Sivaram; P. Veerabhadra Swamy; Ramachandra Puranik; P. Sairam; G. Om Reddy |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 10 |
| Pages of publication | o1435 - o1437 |
| a | 11.468 ± 0.0007 Å |
| b | 15.5987 ± 0.0009 Å |
| c | 6.706 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1199.6 ± 0.4 Å3 |
| Cell temperature | 298.2 K |
| Ambient diffraction temperature | 298.2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections included in the refinement | 0.06 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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