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Information card for entry 7118149
Preview
| Coordinates | 7118149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ALG-4-9 |
|---|---|
| Formula | C29 H36 Br O Si |
| Calculated formula | C29 H36 Br O Si |
| SMILES | Brc1ccccc1C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[Si](c1ccccc1)(C)C |
| Title of publication | Copper-catalyzed silylation of p-quinone methides: new entry to dibenzylic silanes |
| Authors of publication | Aurora Lopez; Alejandro Parra; Carlos Jarava-Barrera; Mariola Tortosa |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 17684 |
| a | 9.5769 ± 0.0003 Å |
| b | 15.5585 ± 0.0005 Å |
| c | 18.7701 ± 0.0006 Å |
| α | 98.447 ± 0.001° |
| β | 95.244 ± 0.001° |
| γ | 94.691 ± 0.001° |
| Cell volume | 2741.97 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1032 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1227 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171416 (current) | 2015-12-10 | cif/ Adding structures of 7118149 via cif-deposit CGI script. |
7118149.cif |
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Users of the data should acknowledge the original authors of the
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