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Information card for entry 1554921
Preview
| Coordinates | 1554921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 N2 O2 S |
|---|---|
| Calculated formula | C24 H24 N2 O2 S |
| SMILES | n1(c2ccccc2c2ccccc12)/C(=C\NS(=O)(=O)CCCC)c1ccccc1 |
| Title of publication | Efficient synthesis of C-N-coupled heterobiaryls by sequential N-H functionalization reactions. |
| Authors of publication | Lee, Dong Jin; Yoo, Eun Jeong |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 1830 - 1833 |
| a | 12.5268 ± 0.001 Å |
| b | 10.8502 ± 0.0008 Å |
| c | 16.3904 ± 0.0013 Å |
| α | 90° |
| β | 103.482 ± 0.002° |
| γ | 90° |
| Cell volume | 2166.4 ± 0.3 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 | 0.1661 |
| Residual factor for significantly intense reflections | 0.0968 |
| Weighted residual factors for significantly intense reflections | 0.2808 |
| Weighted residual factors for all reflections included in the refinement | 0.3388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238210 (current) | 2019-11-24 | cif/ Adding structures of 1554921 via cif-deposit CGI script. |
1554921.cif |
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