Delettré J, Berthou J, Lifchitz A, Jollès P
Laboratoire de Minéralogie et Cristallographie (LA CNRS n 9), Université Pierre et Marie Curie, Paris, France.
Acta Crystallogr C. 1988 May 15;44 ( Pt 5):905-7. doi: 10.1107/s0108270188000940.
C21H34N3O5+.Cl-, Mr = 444.0, orthorhombic, P2(1)2(1)2(1), a = 26.074 (5), b = 17.591 (4), c = 5.224 (2) A, V = 2396.1 (10) A3, Z = 4, Cu K alpha, lambda = 1.5418 A, mu = 1.71 mm-1, F(000) = 952, D chi = 1.231 Mg m-3, room temperature, final R = 0.080 and wR = 0.070 for 2439 reflections [(sin theta)/lambda greater than 0.03 A-1]. The peptide groups are planar; torsion angles (-101 and -88 degrees) indicate a roughly helical structure. The peptide bonds have a trans conformation. The crystal structure is stabilized by a network of hydrogen bonds.
C21H34N3O5⁺·Cl⁻，Mr = 444.0，正交晶系，P2(1)2(1)2(1)，a = 26.074(5)，b = 17.591(4)，c = 5.224(2) Å，V = 2396.1(10) ų，Z = 4，Cu Kα，λ = 1.5418 Å，μ = 1.71 mm⁻¹，F(000) = 952，Dχ = 1.231 Mg m⁻³，室温，对2439个反射[(sin θ)/λ大于0.03 Å⁻¹]，最终R = 0.080，wR = 0.070。肽基呈平面状；扭转角（-101°和-88°）表明大致为螺旋结构。肽键具有反式构象。晶体结构由氢键网络稳定。
