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Information card for entry 4131418
Preview
| Coordinates | 4131418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H33 B2 Cl2 N O4 |
|---|---|
| Calculated formula | C16 H33 B2 Cl2 N O4 |
| Title of publication | Enantioselective Rhodium(III)-Catalyzed Markovnikov Hydroboration of Unactivated Terminal Alkenes. |
| Authors of publication | Smith, James R.; Collins, Beatrice S. L.; Hesse, Matthew J.; Graham, Mark A.; Myers, Eddie L.; Aggarwal, Varinder K. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 27 |
| Pages of publication | 9148 - 9151 |
| a | 10.7825 ± 0.0006 Å |
| b | 11.3305 ± 0.0005 Å |
| c | 17.614 ± 0.0009 Å |
| α | 90° |
| β | 93.1 ± 0.003° |
| γ | 90° |
| Cell volume | 2148.77 ± 0.19 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241624 (current) | 2019-11-25 | cif/ Adding structures of 4131418 via cif-deposit CGI script. |
4131418.cif |
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Users of the data should acknowledge the original authors of the
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