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Information card for entry 1553235
Preview
| Coordinates | 1553235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Br N O3 S |
|---|---|
| Calculated formula | C16 H14 Br N O3 S |
| SMILES | BrCC(OC1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)C |
| Title of publication | Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins |
| Authors of publication | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 447 |
| a | 11.83 ± 0.002 Å |
| b | 9.2659 ± 0.0019 Å |
| c | 14.59 ± 0.003 Å |
| α | 90° |
| β | 97.6 ± 0.03° |
| γ | 90° |
| Cell volume | 1585.2 ± 0.5 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0436 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233727 (current) | 2019-11-23 | cif/ Adding structures of 1553233, 1553234, 1553235, 1553236, 1553237 via cif-deposit CGI script. |
1553235.cif |
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Users of the data should acknowledge the original authors of the
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