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Information card for entry 4107635
Preview
Coordinates | 4107635.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H25 F3 N2 O13 S |
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Calculated formula | C22 H25 F3 N2 O13 S |
SMILES | S(=O)(=O)(C(F)(F)F)[O-].O=C(C(=C(\C(=C(\[n+]1ccc(N(C)C)cc1)C(=O)OC)\C(=O)OC)C(=O)OC)C(=O)OC)OC |
Title of publication | Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications |
Authors of publication | Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 4610 - 4617 |
a | 8.9593 ± 0.0003 Å |
b | 9.1325 ± 0.0002 Å |
c | 9.2993 ± 0.0003 Å |
α | 111.338 ± 0.002° |
β | 95.541 ± 0.002° |
γ | 105.76 ± 0.002° |
Cell volume | 665.68 ± 0.04 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0672 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1532 |
Weighted residual factors for all reflections included in the refinement | 0.1585 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4107635.html
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Users of the data should acknowledge the original authors of the
structural data.