STRUCTURE OF DI-NORMAL-PROPYL DIBENZOBARRELENE-11,12-DICARBOXYLATE

C24H24O4, M(r) = 376.45, triclinic, P1BAR, a = 9.6978 (4), b = 10.2945 (5), c = 10.3828 (3) angstrom, alpha = 82.414 (3), beta = 81.671 (3), gamma = 85.817 (3)-degrees, V = 1015.1 (1) angstrom3, Z = 2, D(x) = 1.232 g cm-3, Cu K-alpha-1, lambda = 1.54056 angstrom, mu = 6.3 cm-1, F(000) = 400, T = 295 K, R = 0.067 for 2597 reflections. The two carboxyl groups have different orientations with respect to the C11 = C12 bond; torsion angles C = C - C = O are -107.3 (5)-degrees at C11 [anticlinal, cos2(angle) = 0.09, not conjugated, C11-CO = 1.487 (5) angstrom] and -175.1 (4)-degrees at C12 [antiperiplanar, cos2(angle) = 0.99, fully conjugated, C12-CO = 1.475 (5) angstrom].