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Information card for entry 1555067
Preview
Coordinates | 1555067.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H19 F3 O |
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Calculated formula | C23 H19 F3 O |
SMILES | FC(F)(F)[C@]1(c2c(cc(OC)cc2)[C@@H](c2ccccc2)C1)c1ccccc1.FC(F)(F)[C@@]1(c2c(cc(OC)cc2)[C@H](c2ccccc2)C1)c1ccccc1 |
Title of publication | TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes |
Authors of publication | Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V. |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 18 |
Pages of publication | 3264 |
a | 9.9918 ± 0.0002 Å |
b | 10.2089 ± 0.0002 Å |
c | 10.5751 ± 0.0002 Å |
α | 91.174 ± 0.002° |
β | 116.274 ± 0.002° |
γ | 107.926 ± 0.002° |
Cell volume | 904.65 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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