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Information card for entry 4028190
Preview
Coordinates | 4028190.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 F3 N O2 |
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Calculated formula | C17 H16 F3 N O2 |
SMILES | c1ccccc1C[C@@H](COc1ccccc1)NC(=O)C(F)(F)F |
Title of publication | Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines |
Authors of publication | Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 4261 - 4269 |
a | 5.162 ± 0.003 Å |
b | 8.413 ± 0.005 Å |
c | 37.3 ± 0.02 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1619.9 ± 1.6 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 | 0.11 |
Residual factor for significantly intense reflections | 0.0816 |
Weighted residual factors for significantly intense reflections | 0.2457 |
Weighted residual factors for all reflections included in the refinement | 0.2744 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4028190.html
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