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Information card for entry 1506663
Preview
Coordinates | 1506663.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 F3 N O4 S Si |
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Calculated formula | C20 H26 F3 N O4 S Si |
SMILES | S(=O)(=O)(N1[C@]([C@@H]2[C@](C1)(C2)/C=C\[Si](C)(C)C)(C(F)(F)F)C(=O)OC)c1ccc(cc1)C.S(=O)(=O)(N1[C@@]([C@H]2[C@@](C1)(C2)/C=C\[Si](C)(C)C)(C(F)(F)F)C(=O)OC)c1ccc(cc1)C |
Title of publication | Tandem catalytic carbene addition/bicyclization of enynes. One-step synthesis of fluorinated bicyclic amino esters by ruthenium catalysis. |
Authors of publication | Eckert, Matthieu; Monnier, Florian; Shchetnikov, Grigorii T.; Titanyuk, Igor D.; Osipov, Serguej N.; Toupet, Loïc; Dérien, Sylvie; Dixneuf, Pierre H. |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 17 |
Pages of publication | 3741 - 3743 |
a | 14.5342 ± 0.0004 Å |
b | 11.9275 ± 0.0003 Å |
c | 14.7603 ± 0.0003 Å |
α | 90° |
β | 117.704 ± 0.001° |
γ | 90° |
Cell volume | 2265.46 ± 0.1 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1051 |
Residual factor for significantly intense reflections | 0.098 |
Weighted residual factors for significantly intense reflections | 0.2564 |
Weighted residual factors for all reflections included in the refinement | 0.2614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
Diffraction radiation wavelength | 0.71069 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/1506663.html
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Users of the data should acknowledge the original authors of the
structural data.