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Information card for entry 4123319
Preview
Coordinates | 4123319.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H18 F3 N O |
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Calculated formula | C25 H18 F3 N O |
SMILES | FC(F)(F)CC1(C(=O)n2c(c3c1cccc3)c(c1ccccc21)c1ccccc1)C |
Title of publication | Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds. |
Authors of publication | Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 2 |
Pages of publication | 964 - 973 |
a | 14.4629 ± 0.0002 Å |
b | 11.06417 ± 0.00013 Å |
c | 12.43841 ± 0.00016 Å |
α | 90° |
β | 100.546 ± 0.0014° |
γ | 90° |
Cell volume | 1956.77 ± 0.04 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 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 | 0.0668 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.1786 |
Weighted residual factors for all reflections included in the refinement | 0.1822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4123319.html
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