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Information card for entry 1543784
Preview
| Coordinates | 1543784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 F6 N2 O4 S2 |
|---|---|
| Calculated formula | C20 H14 F6 N2 O4 S2 |
| SMILES | S(=O)(=O)(N(c1ccccc1)c1cc(N(S(=O)(=O)C(F)(F)F)c2ccccc2)ccc1)C(F)(F)F |
| Title of publication | Diamination of Domino Aryne Precursor with Sulfonamides. |
| Authors of publication | Qiu, Dachuan; He, Jia; Yue, Xiao; Shi, Jiarong; Li, Yang |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 13 |
| Pages of publication | 3130 - 3133 |
| a | 9.2794 ± 0.0003 Å |
| b | 11.1179 ± 0.0004 Å |
| c | 12.038 ± 0.0004 Å |
| α | 84.916 ± 0.003° |
| β | 69.397 ± 0.003° |
| γ | 79.875 ± 0.003° |
| Cell volume | 1143.91 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1208 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184873 (current) | 2016-08-05 | cif/ Adding structures of 1543784 via cif-deposit CGI script. |
1543784.cif |
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Users of the data should acknowledge the original authors of the
structural data.