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Information card for entry 7248679
Preview
| Coordinates | 7248679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.01 H42.01 Cl4 N4 O7 |
|---|---|
| Calculated formula | C33.004 H42.012 Cl4 N4 O7.002 |
| Title of publication | New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium |
| Authors of publication | Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 24 |
| Pages of publication | 3206 - 3216 |
| a | 9.4529 ± 0.0004 Å |
| b | 10.1381 ± 0.0002 Å |
| c | 19.0267 ± 0.0006 Å |
| α | 84.791 ± 0.002° |
| β | 89.345 ± 0.003° |
| γ | 88.234 ± 0.002° |
| Cell volume | 1814.95 ± 0.1 Å3 |
| Cell temperature | 294 ± 1 K |
| Ambient diffraction temperature | 294 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1762 |
| Weighted residual factors for all reflections included in the refinement | 0.2059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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The link is: https://www.crystallography.net/7248679.html
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