Information card for entry 2226911
Common name |
Isovouacapenol C |
Chemical name |
(4a<i>R</i>,5<i>R</i>,6<i>R</i>,6a<i>S</i>,7<i>R</i>,11a<i>S</i>,11b<i>R</i>)- 4a,6-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b- dodecahydrophenanthro[3,2-<i>b</i>]furan-5-yl benzoate |
Formula |
C27 H34 O5 |
Calculated formula |
C27 H34 O5 |
SMILES |
o1c2C[C@H]3[C@@H]([C@@H](O)[C@@H](OC(=O)c4ccccc4)[C@@]4(O)C(CCC[C@]34C)(C)C)[C@H](c2cc1)C |
Title of publication |
Absolute configuration of isovouacapenol C |
Authors of publication |
Fun, Hoong-Kun; Yodsaoue, Orapun; Karalai, Chatchanok; Chantrapromma, Suchada |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
8 |
Pages of publication |
o2059 - o2060 |
a |
11.6236 ± 0.0007 Å |
b |
8.0871 ± 0.0005 Å |
c |
12.4193 ± 0.0007 Å |
α |
90° |
β |
98.194 ± 0.003° |
γ |
90° |
Cell volume |
1155.51 ± 0.12 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 K |
Number of distinct elements |
3 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0316 |
Residual factor for significantly intense reflections |
0.0306 |
Weighted residual factors for significantly intense reflections |
0.0761 |
Weighted residual factors for all reflections included in the refinement |
0.0769 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2226911.html