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Information card for entry 7251253
Preview
| Coordinates | 7251253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H44 Cl2 N8 O9 |
|---|---|
| Calculated formula | C40 H44 Cl2 N8 O9 |
| Title of publication | Novel pyrimethamine salts with isomeric dihydroxybenzoic acids: crystallization and characterization |
| Authors of publication | Kedra, Karolina; Dąbrowa, Kajetan; Gajek, Arkadiusz; CEBORSKA, MAGDALENA |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 9.2777 ± 0.0004 Å |
| b | 14.0027 ± 0.0005 Å |
| c | 16.4264 ± 0.0006 Å |
| α | 78.593 ± 0.003° |
| β | 80.51 ± 0.003° |
| γ | 85.005 ± 0.003° |
| Cell volume | 2059.94 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303238 (current) | 2025-11-09 | cif/ Adding structures of 7251250, 7251251, 7251252, 7251253 via cif-deposit CGI script. |
7251253.cif |
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Users of the data should acknowledge the original authors of the
structural data.