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Information card for entry 7114636
Preview
Coordinates | 7114636.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H17 F3 N2 |
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Calculated formula | C23 H17 F3 N2 |
SMILES | FC(F)(F)[C@]1(Nc2c(Cc3[nH]c4ccccc4c13)cccc2)c1ccccc1 |
Title of publication | Enantioselective synthesis of benzazepinoindoles bearing trifluoromethylated quaternary stereocenters catalyzed by chiral spirocyclic phosphoric acids |
Authors of publication | Xuejian Li; Di Chen; Haorui Gu; Xufeng Lin |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 7538 |
a | 10.77844 ± 0.00012 Å |
b | 10.77844 ± 0.00012 Å |
c | 16.0189 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1860.99 ± 0.05 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 4 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.0258 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0643 |
Weighted residual factors for all reflections included in the refinement | 0.0657 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/7114636.html
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