RasMol2.7.2.1, and stucked by
GifBuilder (Yves Piguet, 1997)

Reference: Doi, M., Yumiba, A. and Asano, A.
The cis,cis-proline isomer of ceratospongamide. Acta Cryst. E58, o62-o64
Copyright © International Union of Crystallography

Stereo view [ORTEP-III (Burnett, 1996)]

Backbone structure (thiazole ring and amide bond are stacked)
PLATON (Spek,1998) drawing

X-Ray Data Summary

formulaC41 H49 N7 O6 S
space groupP41 21 2
Cell Crystal
a (Ang) 12.805(2)  description block
b (Ang) 12.805(2) colour colorless
c (Ang) 54.013(11)size (mm3) 0.26x0.17x0.06
alpha (deg) 90.0 Dx (g/ml) 1.152
beta (deg) 90.0F(000) 3264
gamma (deg) 90.0 mu (mm-1) 1.059
V (Ang^3) 8857(3)
Z 8
Refinement Diffrn measurement
Flack 0.04(6) device typeRigaku AFC5R
parameters 496 decay 2.2
restraints 0 index limit0-h-13,0-k-9,-16-L-58
R_factor_all 0.2172Rint 0.1935
R_factor_gt 0.0981reflections(meas) 4062 merged form 4364
wR_factor_ref0.1554reflections(merged) 2203 .gt. 2sigma(I)
wR_factor_gt 0.1264Structure
shift/su_max 0.007solution SHELXS-97
shift/su_mean 0.004 refinement SHELXL-97

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Date: Dec. 2001