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Information card for entry 7229754
Preview
| Coordinates | 7229754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1 |
|---|---|
| Formula | C34 H29 N3 O3 |
| Calculated formula | C34 H29 N3 O3 |
| SMILES | o1c(=O)c(n2c(c(nc2c2ccccc2O)c2ccccc2)c2ccccc2)cc2c1cc(N(CC)CC)cc2 |
| Title of publication | Conformational switching via an intramolecular H-bond modulates the fluorescence lifetime in a novel coumarin-imidazole conjugate. |
| Authors of publication | Bhattacharjee, Indranil; Ghosh, Nita; Raina, Abhinav; Dasgupta, Jyotishman; Ray, Debdas |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 9 |
| Pages of publication | 6060 - 6072 |
| a | 14.0571 ± 0.0005 Å |
| b | 13.268 ± 0.0005 Å |
| c | 15.3305 ± 0.0005 Å |
| α | 90° |
| β | 104.964 ± 0.001° |
| γ | 90° |
| Cell volume | 2762.32 ± 0.17 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1039 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.2266 |
| Weighted residual factors for all reflections included in the refinement | 0.2532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230935 (current) | 2019-11-17 | cif/ Updating files of 7229754, 7229755 Original log message: Adding full bibliography for 7229754--7229755.cif. |
7229754.cif |
| 204283 | 2017-12-15 | cif/ Adding structures of 7229754, 7229755 via cif-deposit CGI script. |
7229754.cif |
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Users of the data should acknowledge the original authors of the
structural data.