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Information card for entry 7250466
Preview
| Coordinates | 7250466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N O4 |
|---|---|
| Calculated formula | C19 H21 N O4 |
| Title of publication | Structural and Computational Analysis of H-bond mediated anion···anion interactions in new salts of Fumaric and Maleic Acids |
| Authors of publication | Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 5.6443 ± 0.0005 Å |
| b | 17.2728 ± 0.0014 Å |
| c | 17.5092 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1707 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299855 (current) | 2025-05-29 | cif/ Adding structures of 7250461, 7250462, 7250463, 7250464, 7250465, 7250466 via cif-deposit CGI script. |
7250466.cif |
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