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Information card for entry 7250394
Preview
| Coordinates | 7250394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H12 N2 O6 |
|---|---|
| Calculated formula | C7 H12 N2 O6 |
| Title of publication | Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity |
| Authors of publication | Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 5.1105 ± 0.0006 Å |
| b | 7.7802 ± 0.0009 Å |
| c | 13.1733 ± 0.0013 Å |
| α | 77.211 ± 0.009° |
| β | 89.735 ± 0.009° |
| γ | 76.363 ± 0.01° |
| Cell volume | 495.76 ± 0.1 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0673 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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 |
|---|---|---|---|
| 299676 (current) | 2025-05-15 | cif/ Adding structures of 7250393, 7250394 via cif-deposit CGI script. |
7250394.cif |
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Users of the data should acknowledge the original authors of the
structural data.