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Information card for entry 7063183
Preview
| Coordinates | 7063183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 N3 O Se |
|---|---|
| Calculated formula | C26 H21 N3 O Se |
| Title of publication | I2-Catalyzed Three-Component Synthesis of 3-Selenylated Pyrazolo[1,5-a]pyrimidines |
| Authors of publication | Choudhuri, Tathagata; Paul, Suvam; Sikdar, Papiya; Das, Sourav; Sawant, Sanghapal D.; Bagdi, Avik Kumar |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| a | 15.8116 ± 0.0009 Å |
| b | 7.3706 ± 0.0004 Å |
| c | 20.2225 ± 0.0011 Å |
| α | 90° |
| β | 111.506 ± 0.002° |
| γ | 90° |
| Cell volume | 2192.7 ± 0.2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.148 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.276 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291415 (current) | 2024-04-30 | cif/ Adding structures of 7063183 via cif-deposit CGI script. |
7063183.cif |
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Users of the data should acknowledge the original authors of the
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