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Information card for entry 1560842
Preview
| Coordinates | 1560842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 O7 S |
|---|---|
| Calculated formula | C18 H24 O7 S |
| SMILES | S(=O)(=O)(c1ccc([C@H]2O[C@@H]3OC(O[C@@H]3[C@H]3OC(O[C@@H]23)(C)C)(C)C)cc1)C |
| Title of publication | Photoactive Electron Donor-Acceptor Complex Platform for Ni-Mediated C(sp3)‒C(sp2) Bond Formation |
| Authors of publication | Kammer, Lisa Marie; Badir, Shorouk O.; Hu, Ren-Ming; Molander, Gary A. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 13.1341 ± 0.0002 Å |
| b | 5.5371 ± 0.0001 Å |
| c | 15.0402 ± 0.0003 Å |
| α | 90° |
| β | 113.768 ± 0.002° |
| γ | 90° |
| Cell volume | 1001.03 ± 0.03 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0283 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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 |
|---|---|---|---|
| 262779 (current) | 2021-03-06 | cif/ Adding structures of 1560842 via cif-deposit CGI script. |
1560842.cif |
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Users of the data should acknowledge the original authors of the
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