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Information card for entry 1557625
Preview
| Coordinates | 1557625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound 1 |
|---|---|
| Formula | C48 H55 Au F6 N4 O11 S2 |
| Calculated formula | C48 H55 Au F6 N4 O11 S2 |
| SMILES | [Au]1(c2ccccc2c2C1cccc2)([OH2])=C1N2C(=NN1c1c3CCCCc3cc3c1CCCC3)CO[C@@H]1[C@H]2c2ccccc2C1.S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=C(OCC)C.O(C(=O)C)CC.O |
| Title of publication | Strategies for remote enantiocontrol in chiral gold(iii) complexes applied to catalytic enantioselective γ,δ-Diels‒Alder reactions |
| Authors of publication | Reid, Jolene P.; Hu, Mingyou; Ito, Susumu; Huang, Banruo; Hong, Cynthia M.; Xiang, Hengye; Sigman, Matthew S.; Toste, F. Dean |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 25 |
| Pages of publication | 6450 - 6456 |
| a | 9.1199 ± 0.0002 Å |
| b | 23.4191 ± 0.0006 Å |
| c | 23.6083 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5042.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0512 |
| Weighted residual factors for all reflections included in the refinement | 0.0529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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 |
|---|---|---|---|
| 257338 (current) | 2020-10-06 | cif/ Updating files of 1557625 Original log message: Adding full bibliography for 1557625.cif. |
1557625.cif |
| 253842 | 2020-07-06 | cif/ Updating files of 1557625 Original log message: Adding full bibliography for 1557625.cif. |
1557625.cif |
| 249558 | 2020-03-20 | cif/ Adding structures of 1557625 via cif-deposit CGI script. |
1557625.cif |
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Users of the data should acknowledge the original authors of the
structural data.