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Information card for entry 7233358
Preview
| Coordinates | 7233358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H21 N5 O9 |
|---|---|
| Calculated formula | C26 H21 N5 O9 |
| Title of publication | Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines |
| Authors of publication | Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 35 |
| Pages of publication | 5206 |
| a | 7.234 ± 0.002 Å |
| b | 9.378 ± 0.003 Å |
| c | 35.927 ± 0.011 Å |
| α | 89.798 ± 0.006° |
| β | 88.075 ± 0.006° |
| γ | 87.452 ± 0.006° |
| Cell volume | 2433.5 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.1169 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.168 |
| Weighted residual factors for all reflections included in the refinement | 0.1837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233358.cif |
| 223709 | 2019-11-07 | cif/ Updating files of 7233356, 7233357, 7233358, 7233359, 7233360, 7233361, 7233362, 7233363, 7233364, 7233365 Original log message: Adding full bibliography for 7233356--7233365.cif. |
7233358.cif |
| 217471 | 2019-08-09 | cif/ Adding structures of 7233356, 7233357, 7233358, 7233359, 7233360, 7233361, 7233362, 7233363, 7233364, 7233365 via cif-deposit CGI script. |
7233358.cif |
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Users of the data should acknowledge the original authors of the
structural data.