The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands

DNA can adopt noncanonical structures that have important biological functions while also providing structural diversity for applications in nano­technology. Here, the crystal structures of two oligonucleotides composed of d(CGA) triplet repeats in the parallel-stranded duplex form are described. The structure determination of four unique d(CGA)-based parallel-stranded duplexes across two crystal structures has allowed the structural parameters of d(CGA) triplets in the parallel-stranded duplex form to be characterized and established. These results show that d(CGA) units are highly uniform, but that each strand in the duplex is structurally unique and has a distinct role in accommodating structural asymmetries induced by the C–CH⁺ base pair.