| Common name |
4,5,9,9,13,19,20-Heptamethyl-23-oxo-24- oxahexacyclo[15.5.2.0^1,18^.0^4,17^.0^5,14^.0^8,13^]tetracos- 15-en-10-yl acetate |
| Chemical name |
4,4,6a,6b,11,12,14b-Heptamethyl-16-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14a,14b-octadecahydro-12b,8a-(epoxymethano)picen-3-yl acetate |
| Formula |
C32 H48 O4 |
| Calculated formula |
C32 H48 O4 |
| SMILES |
O1[C@@]23[C@H]4[C@](CC[C@@H](C)[C@@H]4C)(CC[C@@]2(C)[C@]2([C@H](C=C3)[C@@]3([C@@H](CC2)C([C@@H](OC(=O)C)CC3)(C)C)C)C)C1=O |
| Title of publication |
4,4,6a,6b,11,12,14b-Heptamethyl-16-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14a,14b-octadecahydro-12b,8a-(epoxymethano)picen-3-yl acetate |
| Authors of publication |
Nisar, Mohammad; Ali, Sajid; Tahir, M. Nawaz; Ahmad, Bashir; Hameed, Shahid |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2013 |
| Journal volume |
69 |
| Journal issue |
4 |
| Pages of publication |
o573 |
| a |
13.7309 ± 0.0008 Å |
| b |
6.9177 ± 0.0004 Å |
| c |
14.8539 ± 0.0009 Å |
| α |
90° |
| β |
90.943 ± 0.002° |
| γ |
90° |
| Cell volume |
1410.73 ± 0.14 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0565 |
| Residual factor for significantly intense reflections |
0.0406 |
| Weighted residual factors for significantly intense reflections |
0.0919 |
| Weighted residual factors for all reflections included in the refinement |
0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.029 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
