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Information card for entry 7242696
Preview
| Coordinates | 7242696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 N4 |
|---|---|
| Calculated formula | C15 H10 N4 |
| SMILES | n12ccccc1c(cc(c2=N)c1ncccc1)C#N |
| Title of publication | A DNA small molecular probe with increasing K+ concentration promoted selectivity |
| Authors of publication | Gong, Ya-Ping; Yang, Jian; Fang, Ji-Wang; Li, Qian; Yu, Zhi-Yong; Guan, Aijiao; Gong, Han-Yuan |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 25 |
| Pages of publication | 15030 - 15035 |
| a | 6.8961 ± 0.0002 Å |
| b | 12.333 ± 0.0003 Å |
| c | 13.6728 ± 0.0003 Å |
| α | 90° |
| β | 96.385 ± 0.002° |
| γ | 90° |
| Cell volume | 1155.65 ± 0.05 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264446 (current) | 2021-04-23 | cif/ Adding structures of 7242696 via cif-deposit CGI script. |
7242696.cif |
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Users of the data should acknowledge the original authors of the
structural data.