Macrosphelide C
Macrosphelide C

Date: Jul.2000

Paper: Yamda, T., Iritani, M., Doi, M., Minoura, K., Ito, M. and Numata, A. (2001).
Absolut stereostructure of cell-adhension inhibitors, macrosphelides C, E-G and I,
produced by a Periconia species separated from an Aplysia sea hare.
J. Chem. Soc., Perkin Trans. 1, 3046-3053.

This structer was produced by Swiss-PdbViewer.

X-Ray Data Summary
formulaC16 H22 O7
weight 326.34
space groupP212121
Cell Crystal
a 10.514(2) Ang. description needle
b 28.460(2) Ang. colour Colorless
c 5.860(2) Ang. size (mm) 0.5x0.15x0.15
alpha 90 deg. Dx (g/ml) 1.236
beta 90 deg. F(000) 696
gamma 90 deg. mu(CuKa) 0.817
volume 1753.4(7) Ang^3
Z 4
Diffrn measurementRefinementspace
device type Rigaku AFC5R/RU-200 Flack -0.2(3)
decay 1.6 % parameters 210
index limit -2-h-12, -7-k-34, 0-L-6 restraints 0
theta (deg.) 3.11-67.63 R_factor_gt 0.0437
total reflections2473 wR_factor_gt 0.1055
reflections(obs) 2185 .gt. 2sigma(I) dela rho_max 0.124 e A^3
Structurespace space space space space space delta rho_min -0.123 e A^3
solution SHELXS-97 shift/su_maxlt.0.001
refinementSHELXL-97 Goodness of fit 1.060

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