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Information card for entry 7247784
Preview
Coordinates | 7247784.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H16 F3 N O |
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Calculated formula | C22 H16 F3 N O |
SMILES | O(C1=Nc2c(C1(c1ccccc1)c1ccccc1)cccc2)CC(F)(F)F |
Title of publication | Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles |
Authors of publication | Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit |
Journal of publication | Green Chemistry |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 1 |
Pages of publication | 448 - 455 |
a | 6.8883 ± 0.0009 Å |
b | 15.522 ± 0.002 Å |
c | 16.668 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1782.1 ± 0.4 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0521 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
289565 (current) | 2024-02-04 | cif/ Updating files of 7247784, 7247785, 7247786, 7247787, 7247788, 7247789 Original log message: Adding full bibliography for 7247784--7247789.cif. |
7247784.cif |
287767 | 2023-11-24 | cif/ Adding structures of 7247784, 7247785, 7247786, 7247787, 7247788, 7247789 via cif-deposit CGI script. |
7247784.cif |
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Users of the data should acknowledge the original authors of the
structural data.