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Information card for entry 2023077
Preview
| Coordinates | 2023077.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tetramethyl (<i>E</i>)-4,4'-(ethene-1,2-diyl)bis(5-nitrobenzene-1,2-dicarboxylate) |
|---|---|
| Formula | C22 H18 N2 O12 |
| Calculated formula | C22 H18 N2 O12 |
| Title of publication | Synthesis and crystal structure of tetra-methyl (<i>E</i>)-4,4'-(ethene-1,2-di-yl)bis-(5-nitro-benzene-1,2-di-carboxyl-ate). |
| Authors of publication | Businski, Artjom; Ta, Thuy C.; Gindullis, Niklas; Näther, Christian; Herges, Rainer |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 4 |
| Pages of publication | 435 - 438 |
| a | 5.9454 ± 0.0002 Å |
| b | 7.9543 ± 0.0003 Å |
| c | 12.0673 ± 0.0004 Å |
| α | 72.124 ± 0.003° |
| β | 79.661 ± 0.003° |
| γ | 86.052 ± 0.003° |
| Cell volume | 534.25 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291717 (current) | 2024-05-06 | cif/ Updating files of 2023077 Original log message: Adding full bibliography for 2023077.cif. |
2023077.cif |
| 290711 | 2024-03-29 | cif/ Adding structures of 2023077 via cif-deposit CGI script. |
2023077.cif |
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Users of the data should acknowledge the original authors of the
structural data.