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Information card for entry 4028191
Preview
Coordinates | 4028191.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H12 F3 N O2 |
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Calculated formula | C11 H12 F3 N O2 |
SMILES | c1ccccc1C[C@@H](CO)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 | 8.247 ± 0.003 Å |
b | 5.0946 ± 0.0016 Å |
c | 14.235 ± 0.005 Å |
α | 90° |
β | 100.136 ± 0.004° |
γ | 90° |
Cell volume | 588.8 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 all reflections | 0.0741 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1429 |
Weighted residual factors for all reflections included in the refinement | 0.1598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4028191.html
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Users of the data should acknowledge the original authors of the
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