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Information card for entry 4127397
Preview
Coordinates | 4127397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H41 B2 Co F8 N4 O3 P |
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Calculated formula | C35 H41 B2 Co F8 N4 O3 P |
SMILES | [Co]12([N]3=C(OC[C@@H]3C(C)C)c3c([P]1(c1ccccc1C1OC[C@@H]([N]2=1)C(C)C)c1ccc(OC)cc1)cccc3)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination. |
Authors of publication | Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 29 |
Pages of publication | 11430 - 11434 |
a | 9.7764 ± 0.0018 Å |
b | 10.02 ± 0.002 Å |
c | 10.928 ± 0.002 Å |
α | 112.897 ± 0.014° |
β | 98.386 ± 0.015° |
γ | 93.96 ± 0.02° |
Cell volume | 966.3 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 8 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.042 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.1054 |
Weighted residual factors for all reflections included in the refinement | 0.11 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4127397.html
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