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7-PhobPBu, 9-anti-butyl-9-phosphabicyclo[4.2.1]nonane.
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7-PhobPBu, 9-anti-butyl-9-phosphabicyclo[4.2.1]nonane.
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84908704433
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a is logarithmic, the conclusion of a difference of ∼2 units between a-PhobPH and s-PhobPH should be robust.
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a is logarithmic, the conclusion of a difference of ∼2 units between a-PhobPH and s-PhobPH should be robust.
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The assignment of the minor species as a7-PhobPH was validated by the addition of genuine s-PhobPH to a sample of the mixture of a 5PhobPH and a7-PhobPH and three distinct 31P NMR signals were observed at-48.4,-54.1, and-54.3 ppm. Furthermore, addition of BH3 · THF to the 3:1:1 mixture of a5-PhobPH, a 7-PhobPH, and s-PhobPH gave a 3:1:1 mixture of a 5-PhObPH(BH3, a7-PhObPH(BH3, and s-PhObPHBH3
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3 but are in the same descending order.
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3 but are in the same descending order.
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36448983228
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84908704323
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2) which was present in the commercial phobane. This caused no problems with the purity of the derivatives.
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2) which was present in the commercial phobane. This caused no problems with the purity of the derivatives.
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68
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84908704431
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SHELXTL program system version 5.1; Bruker Analytical X-ray Instruments Inc, Madison, WI, 1998
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SHELXTL program system version 5.1; Bruker Analytical X-ray Instruments Inc.: Madison, WI, 1998.
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69
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84908704211
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Jaguar, version 6.0; Schrödinger, LLC: New York, 2005
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Jaguar, version 6.0; Schrödinger, LLC: New York, 2005.
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75
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84908704563
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Test calculations using the more stringent default convergence criteria did not lead to significant changes in energies, bond lengths, or angles but were much more time-consuming
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Test calculations using the more stringent default convergence criteria did not lead to significant changes in energies, bond lengths, or angles but were much more time-consuming.
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