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Information card for entry 4133762
Preview
Coordinates | 4133762.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H59 B2 Cl2 N O8 S |
---|---|
Calculated formula | C37 H59 B2 Cl2 N O8 S |
SMILES | ClCCl.S(=O)(=O)(N1CCOCC1)c1ccc(cc1)[C@@H](C[C@@]1([C@H]2[C@H](CC([C@@H](C(=O)C1)C2)(C)C)B1OC(C(O1)(C)C)(C)C)C)B1OC(C(O1)(C)C)(C)C.ClCCl.S(=O)(=O)(N1CCOCC1)c1ccc(cc1)[C@H](C[C@]1([C@@H]2[C@@H](CC([C@H](C(=O)C1)C2)(C)C)B1OC(C(O1)(C)C)(C)C)C)B1OC(C(O1)(C)C)(C)C |
Title of publication | Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis. |
Authors of publication | Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 51 |
Pages of publication | 20069 - 20078 |
a | 11.9599 ± 0.0006 Å |
b | 13.0727 ± 0.0006 Å |
c | 14.6426 ± 0.0007 Å |
α | 106.075 ± 0.002° |
β | 108.081 ± 0.002° |
γ | 102.136 ± 0.002° |
Cell volume | 1978.23 ± 0.17 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0799 |
Weighted residual factors for all reflections included in the refinement | 0.0856 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4133762.html
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Users of the data should acknowledge the original authors of the
structural data.