| Chemical name |
(2<i>E</i>,25<i>E</i>)-11,14,17,33,36,39,42- Heptaoxapentacyclo[41.4.0.0^5,10^.0^18,23^.0^27,32^]heptatetraconta- 1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione |
| Formula |
C40 H40 O9 |
| Calculated formula |
C40 H40 O9 |
| SMILES |
c12C=CC(=O)c3ccccc3OCCOCCOc3ccccc3C(=O)C=Cc3ccccc3OCCOCCOCCOc1cccc2 |
| Title of publication |
(2<i>E</i>,25<i>E</i>)-11,14,17,33,36,39,42-Heptaoxapentacyclo[41.4.0.0^5,10^.0^18,23^.0^27,32^]heptatetraconta-1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione |
| Authors of publication |
Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Soldatova, Svetlana A.; Khrustalev, Victor N. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2011 |
| Journal volume |
67 |
| Journal issue |
5 |
| Pages of publication |
o1128 - o1129 |
| a |
12.3268 ± 0.0006 Å |
| b |
11.0271 ± 0.0006 Å |
| c |
13.1142 ± 0.0007 Å |
| α |
90° |
| β |
106.933 ± 0.001° |
| γ |
90° |
| Cell volume |
1705.32 ± 0.15 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 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 |
0.0601 |
| Residual factor for significantly intense reflections |
0.0508 |
| Weighted residual factors for significantly intense reflections |
0.12 |
| Weighted residual factors for all reflections included in the refinement |
0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
