Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7135137
Preview
| Coordinates | 7135137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 N O3 S |
|---|---|
| Calculated formula | C16 H11 N O3 S |
| 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 | 10.3033 ± 0.0002 Å |
| b | 16.8149 ± 0.0004 Å |
| c | 7.3464 ± 0.0001 Å |
| α | 90° |
| β | 92.449 ± 0.002° |
| γ | 90° |
| Cell volume | 1271.59 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0297 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| 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. |
7135137.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.