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Information card for entry 4126765
Preview
| Coordinates | 4126765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H26 Br2 Co P2 |
|---|---|
| Calculated formula | C27 H26 Br2 Co P2 |
| SMILES | C1CC[P](c2ccccc2)(c2ccccc2)[Co]([P]1(c1ccccc1)c1ccccc1)(Br)Br |
| Title of publication | Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes. |
| Authors of publication | Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 9.5599 ± 0.0009 Å |
| b | 15.7417 ± 0.0015 Å |
| c | 17.1 ± 0.0015 Å |
| α | 90° |
| β | 93.948 ± 0.004° |
| γ | 90° |
| Cell volume | 2567.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections included in the refinement | 0.0597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 203513 (current) | 2017-11-24 | cif/ Adding structures of 4126765 via cif-deposit CGI script. |
4126765.cif |
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Users of the data should acknowledge the original authors of the
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