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Öğe 1,2,7A-TRIHYDROXY-2-METHYLPERHYDRO-1-PHOSPHAINDENE 1-OXIDE(Munksgaard Int Publ Ltd, 1991) BARTCZAK, TJ; YAGBASAN, RC9H17O4P, M(r) = 220.20, monoclinic, P2(1), a = 12.385 (4), b = 6.590 (3), c = 13.394 (4) angstrom, beta = 98.00 (3)degrees, V = 1082.54 angstrom 3, Z = 4, D(x) = 1.351 g cm-3, lambda(Cu K-alpha) = 1.54178 angstrom, mu = 21.9 cm-1, F(000) = 472, T = 296 K, R(F) = 0.044, wR(F) = 0.048 for 1850 observed reflections [I(o) > 3-sigma(I(o))] and 253 parameters. The asymmetric unit consists of two independent molecules which have almost identical but inverted conformations. Molecule 1: The five-membered phospholane ring exists in an envelope conformation with C(3) at the flap [the asymmetry parameter DELTA-C(s)C(9) = 2.35 (6)degrees]. The six-membered cyclohexane ring is a slightly twisted chair [DELTA-C(s)C(5) = 1.93 (6), DELTA-C2C(3),C(4) = 6.33 (6)degrees]. The rings are trans-fused and the hydroxyl group O(4) is anti to the phosphoryl group P(1)-O(1). Molecule 2: The five-membered phospholane ring is a slightly twisted envelope with C(13) at the flap [DELTA-C(s)C(13) = 3.85 (6)degrees]. The fused six-membered cyclohexane ring is almost an ideal chair [DELTA-C(s)C(14),C(17) = 1.08 (6), DELTA-C2C(13),C(18) = 0.16 (6)degrees]. The rings are trans-fused and the hydroxyl group O(14) is anti to the phosphoryl group P(2)-O(11).Öğe 3A,4,5-TRIHYDROXY-5,7,7-TRIMETHYLPERHYDRO-4-PHOSPHAINDENE 4-OXIDE(Munksgaard Int Publ Ltd, 1991) BARTCZAK, TJ; YAGBASAN, RC11H21O4P.2H2O, M(r) = 284.28, monoclinic, P2(1)/n, a = 6.818 (4), b = 12.956 (3), c = 32.854 (7) angstrom, beta = 91.01 (3)degrees, V = 2901.81 angstrom 3, Z = 8, D(x) = 1.301 g cm-3, lambda(Cu K-alpha) = 1.54178 angstrom, mu = 18.4 cm-1, F(000) = 1232, T = 293 K, R(F) = 0.045, wR(F) = 0.049 for 3421 observed reflections [F(o) greater-than-or-equal-to 3-sigma(F(o))] and 327 parameters. The asymmetric unit consists of two independent molecules existing in almost identical conformations. Molecule 1: The six-membered phosphorinane ring exists in a distorted chair conformation [the asymmetry parameters are DELTA-C(s)P(1) = 5.66 (6), DELTA-C(s)C(1) = 6.37 (6), DELTA-C2C(1),C(2) = 11.26 (6)degrees]. The five-membered cyclopentane ring is an envelope with C(4) at the flap [DELTA-C(s)C(4) = 10.07 (6)degrees]. Molecule 2: The six-membered phosphorinane ring is a distorted chair [DELTA-C(s)P(2) = 3.25 (6), DELTA-C(s)C(21) = 7.10 (6), DELTA-C2C(22) = 12.71 (6)degrees]. The five-membered cyclopentane ring is an envelope with C(24) at the flap [DELTA-C(s)C(24) = 7.10 (6)degrees]. The rings in both molecules are trans-fused and the hydroxyl groups O(4) and O(24) are trans to the phosphoryl groups. There are a large number of intra- and intermolecular hydrogen bonds in the structure formed between water molecules, phosphoryl and hydroxyl groups.