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Information card for entry 4027436
Preview
Coordinates | 4027436.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H26 F N O |
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Calculated formula | C21 H26 F N O |
SMILES | F[C@H]1[C@H](O)[C@@H](N(Cc2ccccc2)Cc2ccccc2)CCCC1.F[C@@H]1[C@@H](O)[C@H](N(Cc2ccccc2)Cc2ccccc2)CCCC1 |
Title of publication | Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines |
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 | 2012 |
Journal volume | 77 |
Pages of publication | 7262 - 7281 |
a | 9.8827 ± 0.0002 Å |
b | 15.4422 ± 0.0003 Å |
c | 12.2289 ± 0.0003 Å |
α | 90° |
β | 108.235 ± 0.0009° |
γ | 90° |
Cell volume | 1772.54 ± 0.07 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0494 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for all reflections | 0.0903 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0903 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9613 |
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/4027436.html
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Users of the data should acknowledge the original authors of the
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