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Information card for entry 1576045
Preview
| Coordinates | 1576045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 N S |
|---|---|
| Calculated formula | C27 H19 N S |
| Title of publication | A dual-functional AIE luminogen for sensitive nitro explosive detection and efficient photolabeling. |
| Authors of publication | Heena, ?; Naithani, Sudhanshu; Sangeeta, ?; Guchhait, Biswajit; Medda, Nandita; Roy, Partha; Goswami, Tapas; Kumar, Sushil |
| Journal of publication | Analytical methods : advancing methods and applications |
| Year of publication | 2025 |
| a | 8.9312 ± 0.0005 Å |
| b | 10.4343 ± 0.0007 Å |
| c | 12.5929 ± 0.0007 Å |
| α | 73.098 ± 0.005° |
| β | 70.992 ± 0.005° |
| γ | 65.822 ± 0.006° |
| Cell volume | 995.24 ± 0.12 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 | 0.0674 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302972 (current) | 2025-10-24 | cif/ Adding structures of 1576045 via cif-deposit CGI script. |
1576045.cif |
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Users of the data should acknowledge the original authors of the
structural data.