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Information card for entry 7240805
Preview
| Coordinates | 7240805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 Cl2 N3 O3 |
|---|---|
| Calculated formula | C17 H17 Cl2 N3 O3 |
| Title of publication | Synthesis and solid-state characterization of diclofenac imidazolium monohydrate: an imidazolium pharmaceutical ionic liquid |
| Authors of publication | da Silva, Cecilia; Owoyemi, Bolaji Charles Dayo; Alvarenga-Jr, Benedito R.; Alvarez, Natalia; Ellena, Javier A.; Carneiro, Renato Lajarim |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 18.9975 ± 0.0009 Å |
| b | 9.0067 ± 0.0004 Å |
| c | 10.9126 ± 0.0006 Å |
| α | 90° |
| β | 106.275 ± 0.002° |
| γ | 90° |
| Cell volume | 1792.38 ± 0.15 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0739 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253590 (current) | 2020-07-01 | cif/ Adding structures of 7240805 via cif-deposit CGI script. |
7240805.cif |
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Users of the data should acknowledge the original authors of the
structural data.