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Information card for entry 7135133
Preview
| Coordinates | 7135133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 O5 |
|---|---|
| Calculated formula | C20 H16 O5 |
| Title of publication | Photocyclisations of o-Iodobenzyl-Indanones and Tetralones infer the Intermediacy of Triplet Aryl Cations. |
| Authors of publication | Harrowven, David; Powderly, Marian; Lindup, Toby; Jackman, Edward Henry; Light, Mark E.; Legros, Julien; Chataigner, Isabelle |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 10.2969 ± 0.0002 Å |
| b | 9.8246 ± 0.0002 Å |
| c | 14.8656 ± 0.0003 Å |
| α | 90° |
| β | 93.018 ± 0.002° |
| γ | 90° |
| Cell volume | 1501.76 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.037 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303156 (current) | 2025-11-05 | cif/ Adding structures of 7135132, 7135133, 7135134, 7135135, 7135136, 7135137, 7135138 via cif-deposit CGI script. |
7135133.cif |
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Users of the data should acknowledge the original authors of the
structural data.