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Information card for entry 7242074
Preview
| Coordinates | 7242074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 N4 O13.5 |
|---|---|
| Calculated formula | C30 H44 N4 O13.5 |
| Title of publication | A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts |
| Authors of publication | Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2021 |
| a | 18.9606 ± 0.0002 Å |
| b | 14.2438 ± 0.0002 Å |
| c | 25.8792 ± 0.0003 Å |
| α | 90° |
| β | 90.02 ± 0.001° |
| γ | 90° |
| Cell volume | 6989.22 ± 0.15 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260947 (current) | 2021-01-14 | cif/ Adding structures of 7242073, 7242074, 7242075, 7242076 via cif-deposit CGI script. |
7242074.cif |
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Users of the data should acknowledge the original authors of the
structural data.