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Information card for entry 1553237
Preview
| Coordinates | 1553237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Br N O3 S |
|---|---|
| Calculated formula | C16 H14 Br N O3 S |
| SMILES | BrCC(N1S(=O)(=O)c2ccccc2C1=O)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 | 15.825 ± 0.004 Å |
| b | 8.982 ± 0.003 Å |
| c | 11.426 ± 0.006 Å |
| α | 90° |
| β | 109.905 ± 0.004° |
| γ | 90° |
| Cell volume | 1527.1 ± 1 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 | 0.0748 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| 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. |
1553237.cif |
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Users of the data should acknowledge the original authors of the
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