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Information card for entry 4131585
Preview
| Coordinates | 4131585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 7 |
|---|---|
| Formula | C81 H121 Cu O9 P2 Si2 |
| Calculated formula | C81 H121 Cu O9 P2 Si2 |
| Title of publication | Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes. |
| Authors of publication | Xi, Yumeng; Hartwig, John F. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 36 |
| Pages of publication | 12758 - 12772 |
| a | 19.7038 ± 0.0015 Å |
| b | 26.008 ± 0.002 Å |
| c | 35.273 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18076 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0969 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1711 |
| Weighted residual factors for all reflections included in the refinement | 0.1908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241762 (current) | 2019-11-25 | cif/ Adding structures of 4131585 via cif-deposit CGI script. |
4131585.cif |
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