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Information card for entry 7223555
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| Coordinates | 7223555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | pyrimidine derivative |
|---|---|
| Formula | C20 H18 N4 O4 |
| Calculated formula | C20 H18 N4 O4 |
| SMILES | O=C(OCC)C1=C(Nc2nc3ccccc3n2C1c1c(N(=O)=O)cccc1)C |
| Title of publication | Selective Recognition of Lithium (I) Ions using Biginelli based Fluorescent Organic Nanoparticles in aqueous medium |
| Authors of publication | Kaur, Gaganpreet; Singh, Amanpreet; Venugoplan, Paloth; Singh, Narinder; Kaur, Navneet |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.8274 ± 0.0003 Å |
| b | 11.2215 ± 0.0005 Å |
| c | 11.4253 ± 0.0005 Å |
| α | 71.279 ± 0.002° |
| β | 72.2245 ± 0.0018° |
| γ | 71.6451 ± 0.0019° |
| Cell volume | 878.51 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.159 |
| Weighted residual factors for all reflections included in the refinement | 0.1691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171624 (current) | 2015-12-19 | cif/ Adding structures of 7223555 via cif-deposit CGI script. |
7223555.cif |
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Users of the data should acknowledge the original authors of the
structural data.