A Baba's guaianolide
Four Guaianolides from Sinodielsia yunnanensis. Nian-He WANG, Masahiko TANIGUCHI, Daisuke TSUJI, Mitsunobu DOI, Hirohumi OHISHI, Kenji YOZA, and Kimiye BABA*, Chem. Pharm. Bull., 51(1), 68-70, 2003. |
 This structer was produced by RasMol, and was rasterized by POV-Ray 3 |
Introduction:
Four new guaianolides, sinodielides A-D (1-4), were isolated from Sinodielsia yunnanensis WOLFF together with a known polyacetylene, falcarindiol, and two known coumarins, bergapten and scopoletin. Their structures were established by spectral and X-ray analyses.
X-Ray Data Summary
| formula | C15 H20 O2 | ||
| weight | 232.31 | ||
| symmetry | orthorhombic | ||
| space group | P212121 | ||
| Cell | Crystal | ||
| a | 4.7838(6) Ang. | description | needle |
| b | 7.8933(9) Ang. | colour | Colorless |
| c | 33.700(4) Ang. | size (mm) | 0.7x0.14x0.07 |
| alpha | 90. deg. | Dx (g/ml) | 1.213 |
| beta | 90. deg. | F(000) | 504 |
| gamma | 90. deg. | mu(MoKa) | 0.079 |
| volume | 1272.5(3) Ang^3 | ||
| Z | 4 | ||
| Refinement | Diffrn measurement | ||
| Flack | 0.9(19) | device type | Bruker SMART APEX |
| parameters | 157 | decay | 0 % |
| restraints | 0 | R(int) | 0.0322 |
| R_factor_all | 0.0737 | theta (deg.) | 1.21 - 28.28 |
| R_factor_gt | 0.0526 | total reflections | 9419 |
| wR_factor_ref | 0.1379 | reflections(obs) | 3164 |
| wR_factor_gt | 0.1212 | Delta rho max | 0.250 eA^-3 |
| shift/su_max | 0.001 | Delta rho min | -0.165 eA^-3 |
| Structure | |||
| solution | SHELXS-97 | refinement | SHELXL-97 |
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Date: Jan. 2003