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. 2009 Jun 13;65(Pt 7):o1575–o1576. doi: 10.1107/S1600536809021850
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.033 H-atom parameters constrained
wR(F2) = 0.099 w = 1/[σ2(Fo2) + (0.0672P)2 + 0.1429P] where P = (Fo2 + 2Fc2)/3
S = 1.10 (Δ/σ)max = 0.001
7416 reflections Δρmax = 0.66 e Å3
193 parameters Δρmin = −0.54 e Å3
1 restraint Absolute structure: Flack (1983), 3588 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.04 (4)