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79551497736
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23
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79551481404
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note
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- 1, 24165 reflections measured, 3480 unique (Rint = 0.0899) which were used in further calculations. The structure was solved by direct methods and refined by full matrix least-squares on F2 with anisotropic thermal parameters for all non-hydrogen atoms except fluorine atoms of disordered -CF3 groups. Both trifluoromethyl groups were found to be rotationally disordered over two and three positions with occupancies ratios 0.53/0.47 and 0.53/0.24/0.23, respectively. Hydroxyl atom H1 was found from difference Fourier synthesis; other hydrogen atoms were placed in calculated positions. All H atoms were refined using a riding model. The final residuals were: R1 = 0.0762, wR2 = 0.1956 for 2661 reflections with I > 2σ(I) and 0.0990, 0.2030 for all data and 251 parameters.
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25
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0001901617
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Goddard, R.1
Krüger, C.2
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79551495088
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note
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