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Information card for entry 4133828
Preview
Coordinates | 4133828.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H28 B N O3 |
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Calculated formula | C20 H28 B N O3 |
SMILES | O1C(C)(C)C(O[B]21[O]=C(Nc1ccccc1)[C@@H]1[C@H]3CC[C@H](C3)[C@H]21)(C)C.O1C(C)(C)C(O[B]21[O]=C(Nc1ccccc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21)(C)C |
Title of publication | Direct Access to Chiral Secondary Amides by Copper-Catalyzed Borylative Carboxamidation of Vinylarenes with Isocyanates. |
Authors of publication | Fiorito, Daniele; Liu, Yangbin; Besnard, Celine; Mazet, Clément |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
a | 17.9466 ± 0.0003 Å |
b | 8.57729 ± 0.00014 Å |
c | 11.94065 ± 0.00018 Å |
α | 90° |
β | 95.319 ± 0.0015° |
γ | 90° |
Cell volume | 1830.15 ± 0.05 Å3 |
Cell temperature | 140 ± 0.1 K |
Ambient diffraction temperature | 140 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0512 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4133828.html
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