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Crystal data of [4]pseudorotaxane B: Monoclinic, Space group P2/n, 0.40×0.35×0.30mm3, a=28.6825Å, b=26.7150Å, c=34.2064Å, α=90° β=110.502° γ=90° V=24550.56Å3, Z=2, Dc=1.396 mg.mm-3, T=296 (2) K, Bruker SMART 1000 CCD area detector, Mo-Kα radiation (λ=0.71073Å), Mμ=0.71mm-1, F(000)=10592.7. Refinement method: Full-matrix least-squares on F2. Data/restraints/parameters: 43462/6/2890. Independent reflections 43462 (Rint=0.0872). Theta range for data collection: 2.27 to 19.74°. Index ranges: -34 <= h <= 34, -31 <= k <= 21, -40 <= l <= 40. R1 (i>2σ (I)) = 0.1305, wR2 = 0.4579, and GooF=1.028.
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Crystal data of [4]pseudorotaxane B: Monoclinic, Space group P2/n, 0.40×0.35×0.30mm3, a=28.6825Å, b=26.7150Å, c=34.2064Å, α=90° β=110.502° γ=90° V=24550.56Å3, Z=2, Dc=1.396 mg.mm-3, T=296 (2) K, Bruker SMART 1000 CCD area detector, Mo-Kα radiation (λ=0.71073Å), Mμ=0.71mm-1, F(000)=10592.7. Refinement method: Full-matrix least-squares on F2. Data/restraints/parameters: 43462/6/2890. Independent reflections 43462 (Rint=0.0872). Theta range for data collection: 2.27 to 19.74°. Index ranges: -34 <= h <= 34, -31 <= k <= 21, -40 <= l <= 40. R1 (i>2σ (I)) = 0.1305, wR2 = 0.4579, and GooF=1.028.
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