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Information card for entry 4029834
Preview
Coordinates | 4029834.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H21 F3 N2 O S |
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Calculated formula | C16 H21 F3 N2 O S |
SMILES | c1c(c2cccc(c2n1C)C)[C@@H](C(F)(F)F)NS(C(C)(C)C)=O |
Title of publication | Asymmetric Friedel-Crafts Reactions of N-tert-Butylsulfinyl-3,3,3-trifluoroacetaldimines: General Access to Enantiomerically Pure Indoles Containing a 1-Amino-2,2,2-trifluoroethyl Group. |
Authors of publication | Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 16 |
Pages of publication | 7677 - 7681 |
a | 10.0649 ± 0.0007 Å |
b | 17.5489 ± 0.0012 Å |
c | 10.2527 ± 0.0007 Å |
α | 90° |
β | 97.268 ± 0.001° |
γ | 90° |
Cell volume | 1796.4 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/4029834.html
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