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Information card for entry 1553130
Preview
Coordinates | 1553130.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H31 F O8 |
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Calculated formula | C24 H31 F O8 |
SMILES | F[C@]1([C@@]2(OC(=O)C)C[C@@]3([C@H]([C@H]4[C@]5(OC(=O)[C@@]4([C@@H](OC(=O)C)CC5)C)[C@@H]3CC2)C(=O)OC)C1)C |
Title of publication | Transition-metal free oxidative aliphatic C‒H fluorination |
Authors of publication | Zhang, Xiaofei; Guo, Shuo; Tang, Pingping |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 7 |
Pages of publication | 806 |
a | 8.7359 ± 0.0017 Å |
b | 12.804 ± 0.003 Å |
c | 20.625 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2307 ± 0.8 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0843 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1225 |
Weighted residual factors for all reflections included in the refinement | 0.1344 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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