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. 2009 Nov 21;65(Pt 12):o3162–o3163. doi: 10.1107/S160053680904865X
Refinement on F2 Primary atom site location: the initial coordinates of the β-cyclodextrin scaffold were taken from Lindner & Saenger (1982)
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.032 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.081 H atoms treated by a mixture of independent and constrained refinement
S = 0.99 w = 1/[σ2(Fo2) + (0.0578P)2] where P = (Fo2 + 2Fc2)/3
7019 reflections (Δ/σ)max = 0.001
868 parameters Δρmax = 0.39 e Å3
36 restraints Δρmin = −0.24 e Å3