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The phenylthiomethyl and trichloroacetyl groups of the title compound, 2-phenylthiomethyl-2-propenoic acid (5aα,6β,6aα,6 bβ,7α,7aβ,7 bα,8β,8aα,14aα,15β,15aα,15bβ,16α, 16aβ,16bα,17β,17aα)(6,6a,6 b,7,7a,7 b,8,8a,9,14,14a,15,15a,15b,16,16a,16b, 17,17a,18-Icosahydro-9-(trichloroacetoxymethyl)-5,18:9,14-di-o-benzeno-6, 17:7,16:8,15-trimethanobenzo[1",2":3,4;4",5":3′,4′]dicyclobuta[1,2 − b:1′, 2′-b']dianthracen-5(5aH)-yl)methyl ester hemihydrate, C63H55Cl3O4S.0.5H2O, adopt a cis orientation with respect to each other about the hydrocarbon skeleton of the template. The average bond distances in the hydrocarbon skeleton are: Csp3-Csp3 1.54 (1), Csp3-Csp2 1.52 (1) and C-C aromatic 1.39 (1) Å.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks text, br1035a

CCDC reference: 126304

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