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Crystal Structures of Four Dibromo-methylene-Functionalized Cage Compounds

Crystal structures of four dibromomethylene-functionalized hexa- and heptacyclotetradecane cages are reported. 7-(Dibromomethylene)heptacyclo[6.6.0.0(2, 6).0(3, 13).0(4, 11).0(5, 9).0(10, 14)] tetradecane (3): orthorhombic, Pnma, a = 14.744(1), b = 11.237(1), c = 7.4625(7) Angstrom ; Z = 4 ; R = 0.0531 for 504 observed reflections. 7, 12-Bis(dibromomethylene)heptacyclo[6.6.0.0(2, 6).0(3, 13)0(4, 11).0(5, 9).0(10, 14)]tetradecane (4): monoclinic, 12/a, a = 11.257(1), b = 9.5844(8), c = 13.884(2) Angstrom, beta = 92.254(8)degrees ; Z = 4 ; R = 0.0413 for 663 observed reflections. 10, 14-bis(dibromomethylene)hexacyclo[6.6.0.0(2, 6).0(3, 13).0(4, 11).0(5, 9)]tetradecane (6): monoclinic, P2(1)/n, a = 8.118(1), b = 15.273(4), c = 12.826(3) Angstrom, beta = 104.20(1)degrees ; Z = 4 ; R = 0.0384 for 1392 observed reflections. 14-(dibromomethylene)hexacyclo[6.6.0.0(2, 6).0(3, 13).0(4, 11).0(5, 9)]tradecan-10-one (7): monoclinic, P2(1)/n, a = 8.2879(7), b = 15.273(1), c 10.0565(9) Angstrom, beta = 92.271(8)degrees ; Z = 4 ; R = 0.0320 for 1402 observed reflections. The functional groups lead to slight shortening of bond lengths.

cage compounds; crystal structure; heptacyclotetradecane; hexacyclotetradecane

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