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Information card for entry 7249097
Preview
| Coordinates | 7249097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Co-crystal of 2,4-diaminotrifluoronitrobenzene and 15-crown-5, 2:1 |
|---|---|
| Formula | C22 H28 F6 N6 O9 |
| Calculated formula | C22 H28 F6 N6 O9 |
| Title of publication | Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers |
| Authors of publication | Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 34 |
| Pages of publication | 4602 - 4616 |
| a | 11.5203 ± 0.0014 Å |
| b | 11.5359 ± 0.0015 Å |
| c | 11.8617 ± 0.0017 Å |
| α | 106.975 ± 0.005° |
| β | 108.55 ± 0.004° |
| γ | 90.001 ± 0.005° |
| Cell volume | 1421.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1015 |
| Residual factor for significantly intense reflections | 0.0635 |
| Weighted residual factors for significantly intense reflections | 0.171 |
| Weighted residual factors for all reflections included in the refinement | 0.201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294531 (current) | 2024-09-06 | cif/ Updating files of 7249096, 7249097, 7249098, 7249099, 7249100 Original log message: Adding full bibliography for 7249096--7249100.cif. |
7249097.cif |
| 293512 | 2024-07-24 | cif/ Adding structures of 7249096, 7249097, 7249098, 7249099, 7249100 via cif-deposit CGI script. |
7249097.cif |
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Users of the data should acknowledge the original authors of the
structural data.