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Information card for entry 7063096
Preview
| Coordinates | 7063096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | TR1 |
|---|---|
| Formula | C24 H17 N3 O2 |
| Calculated formula | C24 H16.5 N3 O2 |
| SMILES | O=c1[nH]c2ccc(OC)cc2cc1c1nc(c2c(n1)cccc2)c1ccccc1 |
| Title of publication | Intermolecular hydrogen bonding-assisted aggregation induced emission in quinolone–quinazoline conjugates and their potential use in acidochromism |
| Authors of publication | Ali, Irshad; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| Journal volume | 48 |
| Journal issue | 15 |
| Pages of publication | 6943 - 6953 |
| a | 11.2 ± 0.005 Å |
| b | 13.46 ± 0.006 Å |
| c | 13.666 ± 0.007 Å |
| α | 61.638 ± 0.016° |
| β | 87.414 ± 0.018° |
| γ | 86.773 ± 0.016° |
| Cell volume | 1809.6 ± 1.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.226 |
| Residual factor for significantly intense reflections | 0.1149 |
| Weighted residual factors for significantly intense reflections | 0.2939 |
| Weighted residual factors for all reflections included in the refinement | 0.4012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295862 (current) | 2024-11-09 | cif/7: Fixing Z values and formulae |
7063096.cif |
| 291680 | 2024-05-05 | cif/ Updating files of 7063095, 7063096, 7063097 Original log message: Adding full bibliography for 7063095--7063097.cif. |
7063096.cif |
| 290533 | 2024-03-19 | cif/ Adding structures of 7063095, 7063096, 7063097 via cif-deposit CGI script. |
7063096.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.