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Information card for entry 4128506
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Coordinates | 4128506.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H27 Cl F N O2 |
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Calculated formula | C19 H27 Cl F N O2 |
Title of publication | Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines. |
Authors of publication | Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 7 |
Pages of publication | 2878 - 2883 |
a | 8.8499 ± 0.0006 Å |
b | 17.9444 ± 0.0008 Å |
c | 12.0116 ± 0.0007 Å |
α | 90° |
β | 99.75 ± 0.007° |
γ | 90° |
Cell volume | 1879.96 ± 0.19 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1485 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for all reflections | 0.2098 |
Weighted residual factors for significantly intense reflections | 0.1461 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4128506.html
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Users of the data should acknowledge the original authors of the
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