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Information card for entry 1567662
Preview
| Coordinates | 1567662.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 N2 S4 |
|---|---|
| Calculated formula | C16 H18 N2 S4 |
| Title of publication | Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. |
| Authors of publication | Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. |
| Journal of publication | Chemical science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 39 |
| Pages of publication | 11551 - 11559 |
| a | 15.105 ± 0.0002 Å |
| b | 7.8801 ± 0.0001 Å |
| c | 28.9196 ± 0.0003 Å |
| α | 90° |
| β | 90.6804 ± 0.0012° |
| γ | 90° |
| Cell volume | 3442.03 ± 0.07 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for all reflections | 0.1183 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0088 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278982 (current) | 2022-11-07 | cif/ Updating files of 1567655, 1567656, 1567657, 1567658, 1567659, 1567660, 1567661, 1567662, 1567663, 1567664 Original log message: Adding full bibliography for 1567655--1567664.cif. |
1567662.cif |
| 278012 | 2022-09-21 | cif/ Adding structures of 1567655, 1567656, 1567657, 1567658, 1567659, 1567660, 1567661, 1567662, 1567663, 1567664 via cif-deposit CGI script. |
1567662.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.