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Information card for entry 7160798
Preview
| Coordinates | 7160798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 N O3 |
|---|---|
| Calculated formula | C13 H9 N O3 |
| Title of publication | Transition-metal and Photocatalyst-free Oxidative Cleavage of Aryl alkynes with PIDA/Iminoiodinanes in Visible Light |
| Authors of publication | Jain, Nidhi; Joshi, Rajat |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.146 ± 0.004 Å |
| b | 17.38 ± 0.008 Å |
| c | 7.782 ± 0.004 Å |
| α | 90° |
| β | 92.193 ± 0.019° |
| γ | 90° |
| Cell volume | 1100.9 ± 0.9 Å3 |
| Cell temperature | 152 ± 2 K |
| Ambient diffraction temperature | 152 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 | 0.1289 |
| Residual factor for significantly intense reflections | 0.0845 |
| Weighted residual factors for significantly intense reflections | 0.2256 |
| Weighted residual factors for all reflections included in the refinement | 0.2657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302916 (current) | 2025-10-16 | cif/ Adding structures of 7160798 via cif-deposit CGI script. |
7160798.cif |
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Users of the data should acknowledge the original authors of the
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