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Information card for entry 4037182
Preview
Coordinates | 4037182.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H17 F3 N2 O2 |
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Calculated formula | C22 H17 F3 N2 O2 |
SMILES | n1c(c2c(c([nH]c2c2ccccc12)C(=O)OCC)c1ccc(cc1)C)C(F)(F)F |
Title of publication | Route for the Generation of Trifluoromethyl-Substituted Pyrrplo[3,2-c]quinolines. |
Authors of publication | Zheng, Danqing; Liu, Tong; Liu, Xia; Fan, Xiaona; Wu, Jie |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 19 |
Pages of publication | 9428 - 9432 |
a | 15.056 ± 0.005 Å |
b | 18.465 ± 0.006 Å |
c | 14.884 ± 0.007 Å |
α | 90° |
β | 113.188 ± 0.005° |
γ | 90° |
Cell volume | 3804 ± 3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.113 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1573 |
Weighted residual factors for all reflections included in the refinement | 0.1895 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
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/4037182.html
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