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Information card for entry 7106917
Preview
Coordinates | 7106917.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H21 Cl F3 N O5 |
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Calculated formula | C23 H21 Cl F3 N O5 |
SMILES | c1(ccc(cc1)[C@@H]1[C@@H]([C@@H]([C@H](C(=O)OC)N1C(=O)c1ccccc1)C(F)(F)F)C(=O)OCC)Cl |
Title of publication | Asymmetric construction of trifluoromethylated pyrrolidines via Cu(I)-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with 4,4,4-trifluorocrotonates |
Authors of publication | Qin-Hua Li; Min-Chao Tong; Jun Li; Hai-Yan Tao; Chun-Jiang Wang |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 11110 |
a | 8.6745 ± 0.0012 Å |
b | 13.3919 ± 0.0018 Å |
c | 19.262 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2237.6 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.05 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0775 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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