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Information card for entry 1572776
Preview
| Coordinates | 1572776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 Br2 N O2 |
|---|---|
| Calculated formula | C16 H13 Br2 N O2 |
| Title of publication | Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications. |
| Authors of publication | Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 36 |
| Pages of publication | 14668 - 14676 |
| a | 9.9175 ± 0.0014 Å |
| b | 17.323 ± 0.003 Å |
| c | 10.7669 ± 0.0015 Å |
| α | 90° |
| β | 115.609 ± 0.002° |
| γ | 90° |
| Cell volume | 1668.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0852 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295043 (current) | 2024-10-04 | cif/ Adding structures of 1572776, 1572777, 1572778 via cif-deposit CGI script. |
1572776.cif |
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Users of the data should acknowledge the original authors of the
structural data.