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Information card for entry 7248676
Preview
| Coordinates | 7248676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H40 Cl4 N4 O6 |
|---|---|
| Calculated formula | C33 H40 Cl4 N4 O6 |
| 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 | 9.6753 ± 0.0003 Å |
| b | 9.9173 ± 0.0003 Å |
| c | 19.001 ± 0.0005 Å |
| α | 88.365 ± 0.002° |
| β | 79.728 ± 0.003° |
| γ | 88.551 ± 0.003° |
| Cell volume | 1792.87 ± 0.09 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292940 (current) | 2024-07-05 | cif/ Updating files of 7248675, 7248676, 7248677, 7248678, 7248679, 7248680 Original log message: Adding full bibliography for 7248675--7248680.cif. |
7248676.cif |
| 292017 | 2024-05-25 | cif/ Adding structures of 7248675, 7248676, 7248677, 7248678, 7248679, 7248680 via cif-deposit CGI script. |
7248676.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.