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Information card for entry 7120097
Preview
Coordinates | 7120097.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H22 F2 O2 |
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Calculated formula | C21 H22 F2 O2 |
SMILES | F[C@@H](C(=O)c1c(cccc1)[C@H](F)C(=O)c1ccc(cc1)C)C(C)(C)C.F[C@H](C(=O)c1c(cccc1)[C@@H](F)C(=O)c1ccc(cc1)C)C(C)(C)C |
Title of publication | Ag-catalyzed difluorohydration of β-alkynyl ketones for diastereoselective synthesis of 1,5-diconboyl compounds |
Authors of publication | Zhu, Yi-Long; Wang, Ai-Fang; Du, Jian-Yu; Leng, Bo-Rong; Tu, Shu-Jiang; Wang, Decai; Wei, Ping; Hao, Wen-Juan; Jiang, Bo |
Journal of publication | Chem. Commun. |
Year of publication | 2017 |
a | 20.8163 ± 0.0018 Å |
b | 20.8163 ± 0.0018 Å |
c | 8.5798 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3717.8 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.1647 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for significantly intense reflections | 0.1822 |
Weighted residual factors for all reflections included in the refinement | 0.2068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7120097.html
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