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a, Extended benzimidazolone analogue of T2, T2E. b, CSP energy-density plot. c, Selected structures for T2E drawn from the leading edge of the energy vs. density landscape; T2E-α, T2E-A, and the global minimum structure, T2E-B. d, Overlay of predicted and experimental structures for T2-α. ESF maps for T2E are shown in Fig. S28.
