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Information card for entry 1574554
Preview
| Coordinates | 1574554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H27 Br N2 O2 |
|---|---|
| Calculated formula | C27 H27 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 | 11.85 ± 0.0011 Å |
| b | 49.858 ± 0.004 Å |
| c | 8.0771 ± 0.001 Å |
| α | 90° |
| β | 90.083 ± 0.007° |
| γ | 90° |
| Cell volume | 4772.1 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0732 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1654 |
| Weighted residual factors for all reflections included in the refinement | 0.1686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1574554.cif |
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Users of the data should acknowledge the original authors of the
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