一种内酯的结构，2,4,6-三脱氧-4,6-二甲基-2-(2-氧代丙基)-7-O-(苯甲基)-L-甘油-D-甘露庚糖酸-1,5-内酯3-(3,5-二硝基苯甲酸酯)
Structure of a lactone, 2,4,6-trideoxy-4,6-dimethyl-2-(2-oxopropyl)-7-O- (phenylmethyl)-L-glycero-D-manno-heptono-1,5-lactone 3-(3,5-dinitrobenzoate).
作者信息
Ammon H L, DeShong P, Simpson D
机构信息
Department of Chemistry and Biochemistry, University of Maryland, College Park 20742.
出版信息
Acta Crystallogr C. 1991 Dec 15;47 ( Pt 12):2693-5. doi: 10.1107/s010827019100625x.
C26H28N2O10, Mr = 528.5, triclinic, P1, a = 9.524 (1), b = 11.8187 (8), c = 12.615 (1) A, alpha = 66.512 (7), beta = 83.321 (9), gamma = 88.758 (8) degrees, V = 1293.0 (4) A3, Dx = 1.357 g cm-3, Z = 2, lambda(Cu K alpha) = 1.54178 A, mu = 8.99 cm-1, F(000) = 556, T = 293 K, final R = 0.039, wR = 0.048 for 2425 reflections with I greater than 3 sigma(I). The tetra-substituted valerolactone ring has a boat conformation and the relative stereochemistries of the three pairs of adjacent substituents are cis-trans-trans.
C26H28N2O10，Mr = 528.5，三斜晶系，P1，a = 9.524(1)，b = 11.8187(8)，c = 12.615(1) Å，α = 66.512(7)，β = 83.321(9)，γ = 88.758(8)°，V = 1293.0(4) ų，Dx = 1.357 g cm⁻³，Z = 2，λ(Cu Kα) = 1.54178 Å，μ = 8.99 cm⁻¹，F(000) = 556，T = 293 K，对于2425个I大于3σ(I)的反射，最终R = 0.039，wR = 0.048。四取代的戊内酯环呈船式构象，三对相邻取代基的相对立体化学构型为顺-反-反。
Zotero 插件