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. 2018 Oct 27;5(Pt 6):841–853. doi: 10.1107/S2052252518013222

(b) β-Ket

  Crystal Pixel CE
  A⋯A C—H⋯π A⋯A C—H⋯π A⋯A C—H⋯π
E tot −91.86 −34.98 −62.2 −37.7 −71.4 −46.2
E coul −152.1 −16.6 −133.3 −15.1
E pol −78.0 −9.1 −29.0 −4.7
E energy-dispersive −22.3 −56.1 −13.3 −62.8
E rep 190.2 44.1 166.1 45.3