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机构地区:[1]State Key Laboratory and Institute of Elemento-organic Chemistry,Nankai University
出 处:《Chinese Journal of Structural Chemistry》2009年第3期338-342,共5页结构化学(英文)
基 金:supported by the 973 program (2006CB932900);NNSFC (Nos. 20572048 and 20421202);NSF of Tianjin (07QTPTJC29700)
摘 要:X-ray crystal structures of the inclusion complexes of calix[4]arene monomethoxycarboxylic acid 1 (C30H2606) with acetontrile and acetone are reported. The crystal of C30H26O6·CH3CN is of monoclinic, space group P2 1/c with a = 11.691(5), b = 13.753(5), c = 17.072(7)A, β = 100.104(7)°, C32H29NO6, Mr = 523.56, V = 2702.4(18)A^3, Z = 4, De= 1.287 g/cm^3, μ(MoKα) = 0.089 mm^-1, T = 293(2) K, 5570 independent reflections with 3220 observed ones (1 〉 2σ(I)), R = 0.0521 and wR = 0.1132 with GOF = 1.042 (R = 0.1055 and wR = 0.1350 for all data). The data for C30H26O6·CH3COCH3: monoclinic, space group P2 1/c, α = 12.366(4), b = 12.119(4), c = 18.796(6) A, β = 90.871(6)°, C33H32O7, Mr = 540.59, V = 2816.6(16)A^3, Z = 4, Dc = 1.275 g/cm^3, μ(MoKα) = 0.089 mm^-1, T = 293(2) K, 5783 independent reflections including 2580 observed ones (I 〉 2σ(I)), R = 0.0555 and wR = 0.1424 with GOF= 0.975 (R = 0.1601 and wR = 0.1884 for all data). Their architectures exhibit one-dimensional inclusion polymers which are mediated head-to-tail by the guests.X-ray crystal structures of the inclusion complexes of calix[4]arene monomethoxycarboxylic acid 1 (C30H2606) with acetontrile and acetone are reported. The crystal of C30H26O6·CH3CN is of monoclinic, space group P2 1/c with a = 11.691(5), b = 13.753(5), c = 17.072(7)A, β = 100.104(7)°, C32H29NO6, Mr = 523.56, V = 2702.4(18)A^3, Z = 4, De= 1.287 g/cm^3, μ(MoKα) = 0.089 mm^-1, T = 293(2) K, 5570 independent reflections with 3220 observed ones (1 〉 2σ(I)), R = 0.0521 and wR = 0.1132 with GOF = 1.042 (R = 0.1055 and wR = 0.1350 for all data). The data for C30H26O6·CH3COCH3: monoclinic, space group P2 1/c, α = 12.366(4), b = 12.119(4), c = 18.796(6) A, β = 90.871(6)°, C33H32O7, Mr = 540.59, V = 2816.6(16)A^3, Z = 4, Dc = 1.275 g/cm^3, μ(MoKα) = 0.089 mm^-1, T = 293(2) K, 5783 independent reflections including 2580 observed ones (I 〉 2σ(I)), R = 0.0555 and wR = 0.1424 with GOF= 0.975 (R = 0.1601 and wR = 0.1884 for all data). Their architectures exhibit one-dimensional inclusion polymers which are mediated head-to-tail by the guests.
关 键 词:crystal structure arene monomethoxycarboxylic acid inclusion polymers
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