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. 2020 Apr 20;76(Pt 5):433–445. doi: 10.1107/S2053229620004143
  (If) (IIa) (IIc)
Crystal data
Chemical formula C24H19NO5 C23H16FNO2 C24H19NO3
M r 401.40 357.37 369.40
Crystal system, space group Triclinic, P Inline graphic Monoclinic, P21/c Monoclinic, P21/n
a, b, c (Å) 11.8136 (7), 12.4987 (10), 13.5976 (11) 7.6021 (6), 20.4880 (13), 10.9319 (7) 4.9743 (2), 29.1957 (13), 12.4406 (6)
α, β, γ (°) 93.084 (3), 101.883 (2), 95.055 (2) 90, 96.986 (3), 90 90, 100.914 (2), 90
V3) 1951.7 (3) 1690.0 (2) 1774.05 (14)
Z 4 4 4
μ (mm−1) 0.10 0.10 0.09
Crystal size (mm) 0.25 × 0.16 × 0.06 0.14 × 0.14 × 0.10 0.45 × 0.06 × 0.04
 
Data collection
T min, T max 0.957, 0.994 0.917, 0.990 0.948, 0.996
No. of measured, independent and observed [I > 2σ(I)] reflections 125792, 9691, 8134 3896, 3896, 2995 54500, 4142, 3643
R int 0.049 N/A 0.048
(sin θ/λ)max−1) 0.667 0.652 0.653
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.039, 0.106, 1.08 0.058, 0.134, 1.05 0.037, 0.095, 1.06
No. of reflections 9691 3896 4142
No. of parameters 547 245 254
No. of restraints 0 0 0
H-atom treatment H atoms treated by a mixture of independent and constrained refinement H-atom parameters constrained H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.38, −0.24 0.29, −0.28 0.27, −0.23