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Information card for entry 4129140
Preview
Coordinates | 4129140.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 F3 N2 O2 |
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Calculated formula | C19 H19 F3 N2 O2 |
SMILES | FC(F)(F)[C@@]12N(C)[C@H]([C@@H](C=C1)[C@@H]1[C@H]2C(=O)N(C1=O)C)Cc1ccccc1.FC(F)(F)[C@]12N(C)[C@@H]([C@H](C=C1)[C@H]1[C@@H]2C(=O)N(C1=O)C)Cc1ccccc1 |
Title of publication | Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups. |
Authors of publication | Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 47 |
Pages of publication | 18890 - 18899 |
a | 10.8231 ± 0.0012 Å |
b | 20.891 ± 0.002 Å |
c | 7.2837 ± 0.0008 Å |
α | 90° |
β | 90.103 ± 0.003° |
γ | 90° |
Cell volume | 1646.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0321 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0687 |
Weighted residual factors for all reflections included in the refinement | 0.0701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4129140.html
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Users of the data should acknowledge the original authors of the
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