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Information card for entry 8106790
Preview
| Coordinates | 8106790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H23 N3 O7 |
|---|---|
| Calculated formula | C15 H23 N3 O7 |
| Title of publication | Crystal structure of tetraethylammonium 3,5-dinitrosalicylate, C15H23N3O7 |
| Authors of publication | Schutte-Smith, Marietjie; Visser, Hendrik G.; Roodt, Andreas |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 77 - 79 |
| a | 11.477 ± 0.003 Å |
| b | 6.858 ± 0.001 Å |
| c | 21.254 ± 0.005 Å |
| α | 90° |
| β | 92.96 ± 0.01° |
| γ | 90° |
| Cell volume | 1670.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0748 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281194 (current) | 2023-03-01 | cif/ Adding structures of 8106790 via cif-deposit CGI script. |
8106790.cif |
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Users of the data should acknowledge the original authors of the
structural data.