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Information card for entry 4026370
Preview
Coordinates | 4026370.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H20 F N O |
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Calculated formula | C14 H20 F N O |
SMILES | F[C@H]1CCC[C@H]([C@@H]1O)N(Cc1ccccc1)C |
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 | 7.2525 ± 0.0002 Å |
b | 10.3974 ± 0.0003 Å |
c | 16.8918 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1273.76 ± 0.07 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0699 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for all reflections | 0.1357 |
Weighted residual factors for significantly intense reflections | 0.1286 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9633 |
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/4026370.html
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