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Information card for entry 7129322
Preview
| Coordinates | 7129322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 N3 O2 P S |
|---|---|
| Calculated formula | C14 H20 N3 O2 P S |
| SMILES | C1(=PN(N=N1)S(=O)(=O)c1c(cc(C)cc1C)C)C(C)(C)C |
| Title of publication | Au(I)-Mediated N2-Elimination from Triazaphospholes: A One-Pot Synthesis of Novel N2P2-Heterocycles |
| Authors of publication | Yue, Erlin; Dettling, Lea; Sklorz, Julian; Kaiser, Selina; Weber, Manuela; Muller, Christian |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 10.6589 ± 0.0003 Å |
| b | 17.72 ± 0.0004 Å |
| c | 8.8396 ± 0.0002 Å |
| α | 90° |
| β | 102.665 ± 0.0009° |
| γ | 90° |
| Cell volume | 1628.96 ± 0.07 Å3 |
| Cell temperature | 104 ± 2 K |
| Ambient diffraction temperature | 104 ± 2 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 | 0.0575 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270915 (current) | 2021-11-30 | cif/ Adding structures of 7129320, 7129321, 7129322 via cif-deposit CGI script. |
7129322.cif |
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Users of the data should acknowledge the original authors of the
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