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Information card for entry 1567345
Preview
| Coordinates | 1567345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16 |
|---|---|
| Calculated formula | C24 H16 |
| Title of publication | Photomechanochemical control over stereoselectivity in the [2 + 2] photodimerization of acenaphthylene. |
| Authors of publication | Biswas, Sankarsan; Banerjee, Sayan; Shlain, Milan A.; Bardin, Andrey A.; Ulijn, Rein V.; Nannenga, Brent L.; Rappe, Andrew M.; Braunschweig, Adam B. |
| Journal of publication | Faraday discussions |
| Year of publication | 2023 |
| Journal volume | 241 |
| Journal issue | 0 |
| Pages of publication | 266 - 277 |
| a | 7.72 ± 0.002 Å |
| b | 4.78 ± 0.002 Å |
| c | 19.85 ± 0.004 Å |
| α | 90 ± 0.03° |
| β | 92.22 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 731.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2738 |
| Residual factor for significantly intense reflections | 0.2174 |
| Weighted residual factors for significantly intense reflections | 0.4281 |
| Weighted residual factors for all reflections included in the refinement | 0.472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.376 |
| Diffraction radiation wavelength | 0.019687 Å |
| Diffraction radiation type | 300keVelectrons |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281468 (current) | 2023-03-04 | cif/ Updating files of 1567345 Original log message: Adding full bibliography for 1567345.cif. |
1567345.cif |
| 276852 | 2022-07-23 | cif/ Adding structures of 1567345 via cif-deposit CGI script. |
1567345.cif |
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Users of the data should acknowledge the original authors of the
structural data.