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Information card for entry 7124304
Preview
| Coordinates | 7124304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Methyl (E)-3-(2-((1H-pyrazol-1-yl)methyl)phenyl)acrylate |
|---|---|
| Formula | C14 H14 N2 O2 |
| Calculated formula | C14 H14 N2 O2 |
| Title of publication | Rhodium(III)-catalyzed regioselective distal ortho C-H alkenylation of N-benzyl/furanylmethylpyrazoles directed by N-coordinating heterocycles |
| Authors of publication | Kim, Hyewon; Thombal, Raju S.; Khanal, Hari Datta; Lee, Yong Rok |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 8.868 ± 0.005 Å |
| b | 8.948 ± 0.005 Å |
| c | 10.107 ± 0.006 Å |
| α | 84.918 ± 0.004° |
| β | 66.058 ± 0.004° |
| γ | 61.274 ± 0.004° |
| Cell volume | 637.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1219 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.1336 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219336 (current) | 2019-10-15 | cif/ Adding structures of 7124304, 7124305 via cif-deposit CGI script. |
7124304.cif |
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