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Information card for entry 7251409
Preview
| Coordinates | 7251409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 Cl N O4 |
|---|---|
| Calculated formula | C22 H18 Cl N O4 |
| Title of publication | Fifth-order nonlinear optical properties of through space charge transfer pyridinium salt |
| Authors of publication | Bundulis, Arturs; Leduskrasts, Kaspars; Sapne, Anete |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 56 |
| Pages of publication | 48109 - 48115 |
| a | 18.08322 ± 0.00013 Å |
| b | 8.31078 ± 0.00006 Å |
| c | 25.0348 ± 0.0002 Å |
| α | 90° |
| β | 102.731 ± 0.0008° |
| γ | 90° |
| Cell volume | 3669.87 ± 0.05 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0888 |
| Residual factor for significantly intense reflections | 0.0861 |
| Weighted residual factors for significantly intense reflections | 0.2319 |
| Weighted residual factors for all reflections included in the refinement | 0.2346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2895 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 304067 (current) | 2025-12-06 | cif/ Adding structures of 7251409 via cif-deposit CGI script. |
7251409.cif |
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Users of the data should acknowledge the original authors of the
structural data.