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C 79 H 69 BrO 8 P 4 , triclinic, P1̅ (no. 2), a = 8.8310(4) Å, b = 9.7790(4) Å, c = 20.4514(8) Å, α = 87.361(2)°, β = 78.463(2)°, γ = 76.439(2)°, V = 1682.2 Å 3 , Z = 1, R gt (F) = 0.0331, wR ref (F 2 ) = 0.0907, T = 200 K.

The crystal structure of 4-bromobenzoic acid — triphenylphosphane oxide — water (1:2:1), C 79 H 69 BrO 8 P 4