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Information card for entry 1574553
Preview
| Coordinates | 1574553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 Br N2 O2 |
|---|---|
| Calculated formula | C21 H23 Br N2 O2 |
| Title of publication | Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines |
| Authors of publication | Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 9.43 ± 0.003 Å |
| b | 9.489 ± 0.002 Å |
| c | 21.189 ± 0.005 Å |
| α | 90° |
| β | 93.651 ± 0.018° |
| γ | 90° |
| Cell volume | 1892.2 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0342 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299475 (current) | 2025-05-02 | cif/ Adding structures of 1574553, 1574554, 1574555 via cif-deposit CGI script. |
1574553.cif |
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Users of the data should acknowledge the original authors of the
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