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Information card for entry 1554816
Preview
Coordinates | 1554816.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 Br F3 O2 |
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Calculated formula | C17 H16 Br F3 O2 |
SMILES | Brc1ccc(c2ccc(OCC[C@@H](OC(F)(F)F)C)cc2)cc1 |
Title of publication | [Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates |
Authors of publication | Chen, Daoqian; Lu, Long; Shen, Qilong |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 11 |
Pages of publication | 1801 |
a | 6.2353 ± 0.0004 Å |
b | 7.7873 ± 0.0004 Å |
c | 17.3098 ± 0.001 Å |
α | 90° |
β | 90.759 ± 0.003° |
γ | 90° |
Cell volume | 840.42 ± 0.08 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 169.99 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 | 0.0375 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.0874 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1554816.html
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