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Information card for entry 7135804
Preview
| Coordinates | 7135804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ethyl (Z)-8-benzylidene-3-phenyl-8H-pyrazolo[5,1-a]isoindole-2-carboxylate |
|---|---|
| Formula | C26 H20 N2 O2 |
| Calculated formula | C26 H20 N2 O2 |
| Title of publication | Synthesis of pyrazolo[5,1-a]isoindoles via silver-mediated cascade cyclization of 1,5-enynes with diazo compounds |
| Authors of publication | Li, Jiarong; Wang, He; Li, Chunbo; Sun, Jing; Wang, Xin; Sun, Ran; Li, Lei |
| Journal of publication | Chemical Communications |
| Year of publication | 2026 |
| a | 10.8575 ± 0.0007 Å |
| b | 10.8827 ± 0.0007 Å |
| c | 11.0362 ± 0.0007 Å |
| α | 114.911 ± 0.002° |
| β | 98.835 ± 0.003° |
| γ | 113.122 ± 0.002° |
| Cell volume | 1005.01 ± 0.12 Å3 |
| Cell temperature | 298.15 K |
| Ambient diffraction temperature | 298.15 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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