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Information card for entry 1558176
Preview
Coordinates | 1558176.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H87 Cu F6 N3 O5 P3 |
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Calculated formula | C80 H87 Cu F6 N3 O5 P3 |
SMILES | [Cu]12([P](c3cc(cc(c3)C)C)(c3c(c4c([P]1(c1cc(C)cc(c1)C)c1cc(cc(c1)C)C)ccc1c4cccc1)c1ccccc1cc3)c1cc(cc(c1)C)C)[O]=C(/C=C/c1ncccc1)N1c3[n]2c(OC)ccc3CC1.[P](F)(F)(F)(F)(F)[F-].O1CCCC1.O1CCCC1.C1CCCO1 |
Title of publication | Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides |
Authors of publication | Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu |
Journal of publication | Chemical Science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 20 |
Pages of publication | 5168 - 5174 |
a | 21.7889 ± 0.0004 Å |
b | 16.4491 ± 0.0004 Å |
c | 24.0629 ± 0.0005 Å |
α | 90° |
β | 106.505 ± 0.002° |
γ | 90° |
Cell volume | 8269 ± 0.3 Å3 |
Cell temperature | 93.15 K |
Ambient diffraction temperature | 93.15 K |
Number of distinct elements | 7 |
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 | 0.1027 |
Residual factor for significantly intense reflections | 0.068 |
Weighted residual factors for significantly intense reflections | 0.1866 |
Weighted residual factors for all reflections included in the refinement | 0.2118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/1558176.html
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Users of the data should acknowledge the original authors of the
structural data.