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Information card for entry 4027568
Preview
Coordinates | 4027568.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 F O |
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Calculated formula | C19 H21 F O |
SMILES | F/C(=C\C)[C@H]([C@@H](O)c1ccccc1)CCc1ccccc1.F/C(=C\C)[C@@H]([C@H](O)c1ccccc1)CCc1ccccc1 |
Title of publication | Regio- and Diastereoselective Nickel-Catalyzed Allylation of Aromatic Aldehydes with α-Halo-β,β-difluoropropene Derivatives |
Authors of publication | Xiaowei Lin; Feng Zheng; Feng-Ling Qing |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 8696 - 8704 |
a | 28.679 ± 0.002 Å |
b | 5.3909 ± 0.0004 Å |
c | 21.5262 ± 0.0016 Å |
α | 90° |
β | 106.523 ± 0.002° |
γ | 90° |
Cell volume | 3190.6 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0562 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1205 |
Weighted residual factors for all reflections included in the refinement | 0.1292 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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