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Information card for entry 2022542
Preview
| Coordinates | 2022542.cif |
|---|---|
| Structure factors | 2022542.hkl |
| Original IUCr paper | HTML |
| Chemical name | 8-Furylimidazolo-2'-deoxycytidine |
|---|---|
| Formula | C14 H14 N4 O5 |
| Calculated formula | C14 H14 N4 O5 |
| Title of publication | 8-Furylimidazolo-2'-deoxycytidine: crystal structure, packing, atropisomerism and fluorescence |
| Authors of publication | Budow-Busse, Simone; Jana, Sunit K.; Kondhare, Dasharath; Daniliuc, Constantin; Seela, Frank |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 3 |
| a | 5.3043 ± 0.0004 Å |
| b | 11.1405 ± 0.0008 Å |
| c | 22.6067 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1335.89 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0914 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272901 (current) | 2022-02-10 | cif/ hkl/ Adding structures of 2022542 via cif-deposit CGI script. |
2022542.cif 2022542.hkl |
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