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Information card for entry 4516715
Preview
| Coordinates | 4516715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N3 O4 |
|---|---|
| Calculated formula | C16 H15 N3 O4 |
| Title of publication | Copper-Catalyzed Double C‒H Alkylation of Aldehyde-Derived N,N-Dialkylhydrazones with Polyhalomethanes: Flexible Access to 4-Functionalized Pyrazoles |
| Authors of publication | Prieto, Alexis; Bouyssi, Didier; Monteiro, Nuno |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 7197 |
| a | 10.2029 ± 0.001 Å |
| b | 19.4064 ± 0.0018 Å |
| c | 7.7687 ± 0.0007 Å |
| α | 90° |
| β | 91.548 ± 0.008° |
| γ | 90° |
| Cell volume | 1537.7 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0975 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections | 0.103 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239482 (current) | 2019-11-24 | cif/ Adding structures of 4516715 via cif-deposit CGI script. |
4516715.cif |
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Users of the data should acknowledge the original authors of the
structural data.