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Information card for entry 1555919
Preview
| Coordinates | 1555919.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 N2 O |
|---|---|
| Calculated formula | C15 H12 N2 O |
| SMILES | O=n1n(ccc1c1ccccc1)c1ccccc1 |
| Title of publication | AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines. |
| Authors of publication | Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 22 |
| Pages of publication | 5928 - 5931 |
| a | 6.1726 ± 0.0013 Å |
| b | 6.1726 ± 0.0013 Å |
| c | 54.71 ± 0.03 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1805.2 ± 1.1 Å3 |
| Cell temperature | 292.84 ± 0.1 K |
| Ambient diffraction temperature | 292.84 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.1409 |
| Residual factor for significantly intense reflections | 0.1199 |
| Weighted residual factors for significantly intense reflections | 0.2033 |
| Weighted residual factors for all reflections included in the refinement | 0.2131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239244 (current) | 2019-11-24 | cif/ Adding structures of 1555919 via cif-deposit CGI script. |
1555919.cif |
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