Macrosphelide C
Date: Jul.2000 |
|
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
| formula | C16 H22 O7 | ||
| weight | 326.34 | ||
| symmetry | orthorhombic | ||
| space group | P212121 | ||
| 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 measurement | Refinementspace | ||
| 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 reflections | 2473 | wR_factor_gt | 0.1055 |
| reflections(obs) | 2185 .gt. 2sigma(I) | dela rho_max | 0.124 e A^3 |
| Structure | space space space space space space | delta rho_min | -0.123 e A^3 |
| solution | SHELXS-97 | shift/su_max | lt.0.001 |
| refinement | SHELXL-97 | Goodness of fit | 1.060 |
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