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A volume of substituent was calculated as follows. The geometry of the substituent, which is capped with a hydrogen atom, was optimized using the 6-311G(d, p) basis set at the Hartree-Fock level, and its volume was calculated on the basis of the van der Waals radii of each atom. The geometry and its volume was calculated using the Spartan'02 program (Spartan'02, Wavefunction, Inc. Irvine, CA).
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βγ).
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m, 148 °C; rr/mr/mm (%), 95/4/1; H-T/H-H/T-T (%), 99/1/0.
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