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Information card for entry 2021914
Preview
| Coordinates | 2021914.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C14 H14 N2 O4 |
|---|---|
| Calculated formula | C14 H14 N2 O4 |
| Title of publication | Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids |
| Authors of publication | Mishra, Risha; Pallepogu, Raghavaiah |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 32 |
| a | 4.101 ± 0.002 Å |
| b | 11.892 ± 0.007 Å |
| c | 13.092 ± 0.008 Å |
| α | 93.491 ± 0.009° |
| β | 97.769 ± 0.01° |
| γ | 90.28 ± 0.01° |
| Cell volume | 631.4 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246118 (current) | 2019-12-26 | cif/ Adding structures of 2021914, 2021915, 2021916, 2021917, 2021918 via cif-deposit CGI script. |
2021914.cif |
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Users of the data should acknowledge the original authors of the
structural data.