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Information card for entry 7233886
Preview
| Coordinates | 7233886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H22 N2 O |
|---|---|
| Calculated formula | C28 H22 N2 O |
| SMILES | Cc1ccc(n2c(c(nc2c2ccccc2O)c2ccccc2)c2ccccc2)cc1 |
| Title of publication | A highly selective ratiometric detection of F- based on excited-state intramolecular proton-transfer (imidazole) materials |
| Authors of publication | Kunchala Dhanunjayarao; Vanga Mukundam; Krishnan Venkatasubbaiah |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 8599 - 8606 |
| a | 10.079 ± 0.0003 Å |
| b | 10.2068 ± 0.0003 Å |
| c | 10.6405 ± 0.0003 Å |
| α | 89.314 ± 0.002° |
| β | 76.447 ± 0.002° |
| γ | 86.532 ± 0.002° |
| Cell volume | 1062.2 ± 0.05 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 | 0.124 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1502 |
| Weighted residual factors for all reflections included in the refinement | 0.1882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218343 (current) | 2019-09-17 | cif/ Adding structures of 7233886 via cif-deposit CGI script. |
7233886.cif |
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Users of the data should acknowledge the original authors of the
structural data.