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. 2021 May 9;54(Pt 3):776–786. doi: 10.1107/S1600576721002569

Table 1. Search-space setup for the generation of the random structures (step 1) of barbituric acid in P1, P21/c and P \overline{1}.

  P1 P21/c P \overline{1}
Z 1 1 1
Z 1 4 2
a min (Å) 3.0 3.0 3.0
a max (Å) 8.5 17.1 17.1
b min (Å) 3.0 3.0 3.0
b max (Å) 8.5 34.1 17.1
c min (Å) 3.0 3.0 3.0
c max (Å) 8.5 34.1 17.1
αmin (°) 90 90 90
αmax (°) 120 90 120
βmin (°) 90 90 90
βmax (°) 120 120 120
γmin (°) 60 90 60
γmax (°) 120 90 120
V min3) 114 458 227
V max3) 154 561 307