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Information card for entry 7160652
Preview
| Coordinates | 7160652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 N3 O |
|---|---|
| Calculated formula | C20 H15 N3 O |
| Title of publication | Divergent Synthesis of 3-Formylpyrazolo[1,5-a]pyrimidines and Methylene-Bridged Bis(pyrazolo[1,5-a]pyrimidines) using DMSO as a Single Carbon Synthon |
| Authors of publication | Sikdar, Papiya; Das, Sourav; Saini, Sheetal; Sawant, Sanghapal D.; Bagdi, Avik Kumar |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 12.9831 ± 0.0009 Å |
| b | 7.4371 ± 0.0005 Å |
| c | 16.6855 ± 0.0012 Å |
| α | 90° |
| β | 101.025 ± 0.002° |
| γ | 90° |
| Cell volume | 1581.36 ± 0.19 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1068 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1221 |
| Weighted residual factors for all reflections included in the refinement | 0.1426 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301407 (current) | 2025-07-30 | cif/ Adding structures of 7160652 via cif-deposit CGI script. |
7160652.cif |
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Users of the data should acknowledge the original authors of the
structural data.