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Information card for entry 7224681
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Coordinates | 7224681.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | chiral (trifluoromethyl)dihydrofuranone |
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Chemical name | (4S,5S)-5-benzoyl-4-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one |
Formula | C18 H12 Cl F3 O3 |
Calculated formula | C18 H12 Cl F3 O3 |
SMILES | Clc1ccc(C(=O)[C@]2(OC(=O)C[C@H]2c2ccccc2)C(F)(F)F)cc1 |
Title of publication | Catalytic cross-benzoin/Michael/acetalization cascade for asymmetric synthesis of trifluoromethylated γ-butyrolactones |
Authors of publication | He, Xiang-Hong; Yang, Lei; Huang, Wei; Zhao, Qian; Pan, Xiao-Li; Jiang, Dao-Feng; Yang, Ming-Cheng; Peng, Cheng; Han, Bo |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 34 |
Pages of publication | 28960 |
a | 7.997 ± 0.003 Å |
b | 11.806 ± 0.004 Å |
c | 17.95 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1694.7 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0843 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.1062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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