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In the calculation of Cp, V0a/ Z0a at the same temperature with a sample should be used as the reference. Since the structure analysis for the monoclinic crystals of 3a and 3b were performed at 293 K, the single crystal X-ray analysis for 0a was also carried out at the same temperature. Crystallographic data for 0a at 293 K. C8H14N 4O10U, M, 564.26, crystal size 0.05 × 0.15 × 0.18 mm, monoclinic, P21/a, 14, a, 6.2047(9, b, 15.540(2, c, 7.964(1) Å, β, 90.703(3)°, V, 767.8(2) Å3, Z, 2, Dcalcd, 2.441 g·cm-3, F 000, 524, μ(Mo Kα, 10.629 mm-1, 7182 reflections collected, 956 unique [I > 2σ(I, R value 0.0422, wR, 0.0688 all data R
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