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Information card for entry 4026369
Preview
Coordinates | 4026369.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H24 F N O |
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Calculated formula | C20 H24 F N O |
SMILES | F[C@H]1[C@H](O)[C@@H](N(Cc2ccccc2)Cc2ccccc2)CCC1.F[C@@H]1[C@@H](O)[C@H](N(Cc2ccccc2)Cc2ccccc2)CCC1 |
Title of publication | Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol |
Authors of publication | Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 4617 - 4627 |
a | 6.5113 ± 0.0001 Å |
b | 14.8776 ± 0.0002 Å |
c | 35.9265 ± 0.0006 Å |
α | 90° |
β | 95.0616 ± 0.0006° |
γ | 90° |
Cell volume | 3466.72 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0841 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for all reflections | 0.106 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9597 |
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/4026369.html
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Users of the data should acknowledge the original authors of the
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