石蒜碱全合成中关键中间体的结构。
The structure of a key intermediate in the total synthesis of dendrobine.
作者信息
Lynch V M, Li W, Martin S F, Davis B E
机构信息
Department of Chemistry and Biochemistry, University of Texas, Austin 78712.
出版信息
Acta Crystallogr C. 1991 Feb 15;47 ( Pt 2):439-40. doi: 10.1107/s0108270190007594.
(1R*,4R*,5S*,8R*,11S*)-3,11-Dimethyl-5-hydroxy-6-isopropyl-3-azatricy clo[6.2.1.0(4,11)]undec-6-en-2-one, C15H23NO2, Mr = 249.35, monoclinic, P2(1)/c, a = 7.782(2), b = 23.119(4), c = 7.932(2) A, beta = 101.53 (2)degrees, V = 1398.1(5) A3, Z = 4, Dx = 1.184 g cm-3, Mo K alpha, gamma = 0.7107 A, mu = 0.7259 cm-1, F(000) = 544, T = 298 K, R = 0.0464 for 1887 reflections (F0 greater than or equal to 4[sigma (F0)]). The molecules are H-bonded into infinite columns parallel to c involving the hydroxyl group and the carbonyl O atom [O15...O13(x,y,z-1) 2.756(2); H15...O13 1.84(3) A; O-H...O 173(3) degrees]. The bonds from the bridgehead atom of the tricyclic ring to other ring atoms appear to be elongated [av. 1.549(2) A] compared to the other Csp3-Csp3 bonds in the molecule.
（1R*，4R*，5S*，8R*，11S*）-3,11-二甲基-5-羟基-6-异丙基-3-氮杂三环[6.2.1.0（4,11）]十一碳-6-烯-2-酮，C15H23NO2，Mr = 249.35，单斜晶系，P2(1)/c，a = 7.782(2)，b = 23.119(4)，c = 7.932(2) Å，β = 101.53(2)°，V = 1398.1(5) Å3，Z = 4，Dx = 1.184 g cm-3，Mo Kα，γ = 0.7107 Å，μ = 0.7259 cm-1，F(000) = 544，T = 298 K，对于1887个反射（F0大于或等于4[σ(F0)]），R = 0.0464。分子通过氢键形成平行于c轴的无限柱，涉及羟基和羰基O原子[O15...O13(x,y,z - 1) 2.756(2)；H15...O13 1.84(3) Å；O - H...O 173(3)°]。与分子中其他Csp3 - Csp3键相比，三环桥头原子与其他环原子之间的键似乎伸长了[平均1.549(2) Å]。
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