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Information card for entry 7108836
Preview
| Coordinates | 7108836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H42 Br4 N4 O10 S2 |
|---|---|
| Calculated formula | C48 H42 Br4 N4 O10 S2 |
| Title of publication | 3-Bromooxindoles as nucleophiles in asymmetric organocatalytic Mannich reactions with N-Ts-imines |
| Authors of publication | Jianhao Li; Taiping Du; Gang Zhang; Yungui Peng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 13 |
| Pages of publication | 1330 - 1332 |
| a | 10.6545 ± 0.0013 Å |
| b | 20.649 ± 0.003 Å |
| c | 13.3304 ± 0.0016 Å |
| α | 90° |
| β | 99.311 ± 0.002° |
| γ | 90° |
| Cell volume | 2894.1 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1212 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.2286 |
| Weighted residual factors for all reflections included in the refinement | 0.2875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.