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Information card for entry 7052787
Preview
Coordinates | 7052787.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H17 F3 N2 O3 |
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Calculated formula | C18 H17 F3 N2 O3 |
SMILES | FC(F)(F)[C@@H](c1[nH]ccc1)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 |
Title of publication | Asymmetric synthesis of chiral trifluoromethylated heliotridane via highly catalytic asymmetric Friedel‒Crafts alkylation with β-trifluoromethylated acrylates and pyrroles |
Authors of publication | Huang, Yiyong; Suzuki, Satoru; Liu, Guokai; Tokunaga, Etsuko; Shiro, Motoo; Shibata, Norio |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 11 |
Pages of publication | 2614 |
a | 10.77497 ± 0.00019 Å |
b | 6.30036 ± 0.00011 Å |
c | 12.5202 ± 0.0007 Å |
α | 90° |
β | 92.0681 ± 0.0009° |
γ | 90° |
Cell volume | 849.4 ± 0.05 Å3 |
Cell temperature | 93.1 K |
Ambient diffraction temperature | 93.1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for all reflections included in the refinement | 0.0617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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