Reference: Doi, M. and Asano, A.
Montanastatin, cyclo[-(Val-D-Hyv-D-Val-Lac)2-].
Copyright © International Union of Crystallography
Acta Cryst. E58, o935-o936

Crystallographic two-fold axis runs on the molecule.

Surface was calculated by MSMS and the figure was drawn by Raster3D .

X-Ray Data Summary

formulaC18 H30 N2 O6
weight370.44lambda (A)0.71073
symmetryorthorhombictemp (K) 100
space groupC2221
Cell Crystal
a (Ang) 13.488(6)  description block
b (Ang) 17.868(7) colour colorless
c (Ang) 16.452(7) size (mm3) 0.32x0.24x0.20
alpha (deg) 90.0 Dx (g/ml) 1.241
beta (deg) 90 F(000) 800
gamma (deg) 90.0 mu (mm-1) 0.093
V (Ang^3) 3965(3)
Z 4
Refinement Diffrn measurement
Flack 0.1(9) device typeBruker SMART APEX CCD
parameters 242 decay 0.13
restraints 1 reflections(meas)13003
R_factor_all 0.0511R(int) 0.0306
R_factor_gt 0.0489reflections(merged) 4717
wR_factor_ref0.1107reflections > 2sigma(I) 4545
wR_factor_gt 0.1096Structure
shift/su_max <0.001solution SHELXS-97
shift/su_mean 0.004 refinement SHELXL-97

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Date: Jul. 2002