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Information card for entry 7238988
Preview
| Coordinates | 7238988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H25 N9 O8 |
|---|---|
| Calculated formula | C19 H25 N9 O8 |
| Title of publication | Watson‒Crick and Hoogsteen tri-base pairing: a co-crystal structure of a 2 : 1 complex of 6-isopropyluracil and adenine nucleobases |
| Authors of publication | Radhakrishnan, K.; Burgula, Laxmi Narayana; Kundu, Lal Mohan |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 20 |
| Pages of publication | 7282 |
| a | 10.8173 ± 0.0019 Å |
| b | 11.0856 ± 0.0019 Å |
| c | 13.235 ± 0.002 Å |
| α | 89.971 ± 0.01° |
| β | 69.525 ± 0.01° |
| γ | 63.586 ± 0.011° |
| Cell volume | 1308.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.089 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1749 |
| Weighted residual factors for all reflections included in the refinement | 0.1892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244497 (current) | 2019-11-28 | cif/ Adding structures of 7238988 via cif-deposit CGI script. |
7238988.cif |
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Users of the data should acknowledge the original authors of the
structural data.