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Information card for entry 7160510
Preview
| Coordinates | 7160510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-(1-imino-2-methyl-3-oxo-9-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)-2,2-dimethylpropanenitrile |
|---|---|
| Formula | C23 H21 N3 O |
| Calculated formula | C23 H21 N3 O |
| Title of publication | Efficient Synthesis of Pyrrolo[1, 2-a]indole-3-ones through Radical-Initiated Cascade Cyclization Reaction |
| Authors of publication | Zhang, Han; Lin, Yuze; Yang, Gang; Yang, Xifa; Cui, Xiuling |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 22.05 ± 0.002 Å |
| b | 8.2245 ± 0.0013 Å |
| c | 21.735 ± 0.003 Å |
| α | 90° |
| β | 100.182 ± 0.011° |
| γ | 90° |
| Cell volume | 3879.6 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1348 |
| Residual factor for significantly intense reflections | 0.0955 |
| Weighted residual factors for significantly intense reflections | 0.2265 |
| Weighted residual factors for all reflections included in the refinement | 0.2472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299361 (current) | 2025-04-23 | cif/ Adding structures of 7160510 via cif-deposit CGI script. |
7160510.cif |
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