Lynch V M, Pacofsky G J, Martin S F, Davis B E
Department of Chemistry, University of Texas, Austin 78712.
Acta Crystallogr C. 1989 Jun 15;45 ( Pt 6):973-5. doi: 10.1107/s0108270188013666.
C19H34O4, Mr = 326.48, orthorhombic, P2(1)2(1)2(1), a = 7.949 (2), b = 14.880 (5), c = 17.047 (5) A, V = 2016 (1) A3, Z = 4, Dx = 1.08 g cm-3, mu = 0.6861 cm-1, lambda(Mo K alpha) = 0.71069 A, F(000) = 720, T = 163 K, R = 0.0644 for 1476 reflections [Fo greater than or equal to 4 sigma (Fo)]. There is an intermolecular H bond involving the hydroxyl group and the carbonyl O (related by 1/2 + x, 3/2 - y, 1 - z) with an O...O distance of 2.838 (5) A, an H...O distance of 2.06 (5) A and an O-H...O angle of 172 (6) degrees. There are no such intramolecular contacts.
C₁₉H₃₄O₄，Mr = 326.48，正交晶系，P2(1)2(1)2(1)，a = 7.949(2)，b = 14.880(5)，c = 17.047(5) Å，V = 2016(1) ų，Z = 4，Dx = 1.08 g cm⁻³，μ = 0.6861 cm⁻¹，λ(Mo Kα) = 0.71069 Å，F(000) = 720，T = 163 K，对于1476个反射[Fo≥4σ(Fo)]，R = 0.0644。存在一个涉及羟基和羰基O的分子间氢键（由1/2 + x，3/2 - y，1 - z相关），O...O距离为2.838(5) Å，H...O距离为2.06(5) Å，O - H...O角度为172(6)度。不存在这样的分子内接触。
