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Information card for entry 4132338
Preview
| Coordinates | 4132338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H38 N2 O8 S2 Zn2 |
|---|---|
| Calculated formula | C53 H38 N2 O8 S2 Zn2 |
| Title of publication | Flipping the Switch: Fast Photoisomerization in a Confined Environment. |
| Authors of publication | Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 24 |
| Pages of publication | 7611 - 7622 |
| a | 19.9556 ± 0.0011 Å |
| b | 22.8307 ± 0.0014 Å |
| c | 21.9438 ± 0.0012 Å |
| α | 90° |
| β | 91.054 ± 0.002° |
| γ | 90° |
| Cell volume | 9995.9 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242322 (current) | 2019-11-26 | cif/ Adding structures of 4132338 via cif-deposit CGI script. |
4132338.cif |
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Users of the data should acknowledge the original authors of the
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