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. 2012 Apr 13;68(Pt 5):o1389. doi: 10.1107/S1600536812015127
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)] = 0.047 H-atom parameters constrained
wR(F2) = 0.097 w = 1/[σ2(Fo2) + (0.0358P)2 + 0.0448P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max < 0.001
2766 reflections Δρmax = 0.19 e Å3
175 parameters Δρmin = −0.22 e Å3
0 restraints Absolute structure: assigned from the known absolute structure of the (R)-tert-butanesulfinamide starting material; the Flack (1983) parameter is consistent with this assignment, 1017 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.03 (10)