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Information card for entry 7241421
Preview
Coordinates | 7241421.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H26 Cl Cu N3 P |
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Calculated formula | C31 H26 Cl Cu N3 P |
SMILES | c12cccc[n]2[Cu@]2(Cl)[N](=C1c1ncccc1)[C@@H](C)c1c(cccc1)[P]2(c1ccccc1)c1ccccc1 |
Title of publication | Highly enantioselective copper-catalyzed propargylic amination to access N-tethered 1,6-enynes |
Authors of publication | Li, Si-Jia; Huang, Jian; He, Jin-Yu; Zhang, Rui-Jin; Qian, Hao-Dong; Dai, Xue-Lin; Kong, Han-Han; Xu, Hao |
Journal of publication | RSC Advances |
Year of publication | 2020 |
Journal volume | 10 |
Journal issue | 63 |
Pages of publication | 38478 - 38483 |
a | 8.8768 ± 0.0017 Å |
b | 8.8907 ± 0.0018 Å |
c | 9.3073 ± 0.0018 Å |
α | 87.751 ± 0.003° |
β | 68.299 ± 0.002° |
γ | 82.837 ± 0.003° |
Cell volume | 677.1 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0443 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.093 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
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/7241421.html
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