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Information card for entry 1555603
Preview
| Coordinates | 1555603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 N4 O2 |
|---|---|
| Calculated formula | C20 H16 N4 O2 |
| SMILES | O=C(N1N=C(c2ccc(C#N)cc2)CCC1c1ccc(cc1)C#N)C.O |
| Title of publication | Fluoride-Assisted Synthesis of 1,4,5,6-Tetrahydropyridazines via [4 + 2] Cyclodimerization of in Situ-Generated Azoalkenes Followed by a C-N Bond Cleavage. |
| Authors of publication | Shelke, Anil M.; Suryavanshi, Gurunath |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 16 |
| Pages of publication | 3968 - 3971 |
| a | 6.1927 ± 0.0007 Å |
| b | 35.576 ± 0.004 Å |
| c | 8.386 ± 0.0009 Å |
| α | 90° |
| β | 106.723 ± 0.002° |
| γ | 90° |
| Cell volume | 1769.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1045 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.2228 |
| Weighted residual factors for all reflections included in the refinement | 0.24 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238935 (current) | 2019-11-24 | cif/ Adding structures of 1555603 via cif-deposit CGI script. |
1555603.cif |
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Users of the data should acknowledge the original authors of the
structural data.