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Crystallographic data: 2C101H164N 21O28·3H2O, Mr, 4295.1, 0.40 x 0.06 x 0.02 mm3, monoclinic, space group C2, a, 39.767(4, b, 20.192(3, c, 32.655(3) Å, β, 116.091(2)°, V, 23 549(5) Å3, Z, 4, ρcalcd, 1.211 Mg m-3, μ, 0.090 mm-1, λ, 0.6868 Å, T, 150 K, 2θmax, 42.4°. In total, 68 928 reflections were collected, of which 28 257 were independent (Rint, 0.041) and employed for refinement, except for a 5, fraction, which was reserved for Rfree calculation. Data/restraints/parameters: 26 845/851/2725, R1, 0.117 (F > 4σ(F, wR2, 0.305 all data, min/max residual electron density: -0.38/0.95 e Å-3. Data were collected at the
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[13] Details of the structure solution and refinement, along with tables of torsion angles and hydrogen-bond parameters, may be found in the Supporting Information. CCDC-604861 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_ request/cif.
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