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Information card for entry 7229755
Preview
| Coordinates | 7229755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3 |
|---|---|
| Formula | C34 H29 N3 O2 |
| Calculated formula | C34 H29 N3 O2 |
| SMILES | o1c2c(cc(n3c(nc(c4ccccc4)c3c3ccccc3)c3ccccc3)c1=O)ccc(N(CC)CC)c2 |
| 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 | 9.8322 ± 0.0006 Å |
| b | 11.6973 ± 0.0007 Å |
| c | 12.975 ± 0.0007 Å |
| α | 113.245 ± 0.002° |
| β | 93.22 ± 0.002° |
| γ | 93.119 ± 0.002° |
| Cell volume | 1364.18 ± 0.14 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.1252 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.218 |
| 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. |
7229755.cif |
| 204283 | 2017-12-15 | cif/ Adding structures of 7229754, 7229755 via cif-deposit CGI script. |
7229755.cif |
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Users of the data should acknowledge the original authors of the
structural data.