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Information card for entry 7245266
Preview
| Coordinates | 7245266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H94 N8 O10 |
|---|---|
| Calculated formula | C88 H94 N8 O10 |
| Title of publication | Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module |
| Authors of publication | Ahsan, Mollah Rohan; Mukherjee, Arijit |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 18.669 ± 0.0001 Å |
| b | 8.6554 ± 0.0001 Å |
| c | 24.232 ± 0.0002 Å |
| α | 90° |
| β | 106.744 ± 0.001° |
| γ | 90° |
| Cell volume | 3749.58 ± 0.06 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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 |
|---|---|---|---|
| 277074 (current) | 2022-08-05 | cif/ Adding structures of 7245258, 7245259, 7245260, 7245261, 7245262, 7245263, 7245264, 7245265, 7245266, 7245267 via cif-deposit CGI script. |
7245266.cif |
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Users of the data should acknowledge the original authors of the
structural data.