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Information card for entry 4028313
Preview
Coordinates | 4028313.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H27 N O3 S |
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Calculated formula | C27 H27 N O3 S |
SMILES | S(=O)(=O)(N1CC2=CCCC[C@H]2[C@H](C(=O)c2cccc3c2cccc3)C1)c1ccc(C)cc1.S(=O)(=O)(N1CC2=CCCC[C@@H]2[C@@H](C(=O)c2cccc3c2cccc3)C1)c1ccc(C)cc1 |
Title of publication | Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles |
Authors of publication | Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 5521 - 5529 |
a | 9.3782 ± 0.0016 Å |
b | 28.013 ± 0.004 Å |
c | 17.254 ± 0.003 Å |
α | 90° |
β | 96.101 ± 0.009° |
γ | 90° |
Cell volume | 4507.2 ± 1.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 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 | 0.3432 |
Residual factor for significantly intense reflections | 0.0901 |
Weighted residual factors for significantly intense reflections | 0.1486 |
Weighted residual factors for all reflections included in the refinement | 0.2249 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
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/4028313.html
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Users of the data should acknowledge the original authors of the
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