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Information card for entry 1543807
Preview
| Coordinates | 1543807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 Br O2 |
|---|---|
| Calculated formula | C21 H19 Br O2 |
| SMILES | Brc1ccc(C(=O)O[C@H]2c3ccccc3[C@H]3[C@@H]4CC[C@H]([C@@H]23)C4)cc1 |
| Title of publication | Chiral N-Heterocyclic Carbene Ligand Enabled Nickel(0)-Catalyzed Enantioselective Three-Component Couplings as Direct Access to Silylated Indanols. |
| Authors of publication | Ahlin, Joachim S. E.; Cramer, Nicolai |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 13 |
| Pages of publication | 3242 - 3245 |
| a | 11.911 ± 0.004 Å |
| b | 5.8447 ± 0.0013 Å |
| c | 12.531 ± 0.003 Å |
| α | 90° |
| β | 103.47 ± 0.02° |
| γ | 90° |
| Cell volume | 848.4 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184890 (current) | 2016-08-05 | cif/ Adding structures of 1543807 via cif-deposit CGI script. |
1543807.cif |
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Users of the data should acknowledge the original authors of the
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