|
[cis,cis]-Ceratospongamide
cyclo(-Ile-Oxz-Phe-Pro-Thz-Phe-Pro-) 
|   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
| formula | C41 H49 N7 O6 S | ||
| weight | 767.93 | ||
| symmetry | tetragonal | ||
| space group | P41 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) | 90.0 | F(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 type | Rigaku AFC5R |
| parameters | 496 | decay | 2.2 |
| restraints | 0 | index limit | 0-h-13,0-k-9,-16-L-58 |
| R_factor_all | 0.2172 | Rint | 0.1935 |
| R_factor_gt | 0.0981 | reflections(meas) | 4062 merged form 4364 |
| wR_factor_ref | 0.1554 | reflections(merged) | 2203 .gt. 2sigma(I) |
| wR_factor_gt | 0.1264 | Structure | |
| shift/su_max | 0.007 | solution | SHELXS-97 |
| shift/su_mean | 0.004 | refinement | SHELXL-97 |
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Date: Dec. 2001