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Information card for entry 7250462
Preview
| Coordinates | 7250462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 N O4 |
|---|---|
| Calculated formula | C14 H13 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 | 5.6275 ± 0.0003 Å |
| b | 9.642 ± 0.0005 Å |
| c | 11.8288 ± 0.0006 Å |
| α | 100.639 ± 0.002° |
| β | 90.079 ± 0.002° |
| γ | 102.129 ± 0.002° |
| Cell volume | 616.18 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| 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. |
7250462.cif |
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Users of the data should acknowledge the original authors of the
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