| Chemical name |
3,3,6,6-Tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9- octahydro-1<i>H</i>-xanthen-9-yl)pyridin-2-yl]-2,3,4,5,6,7,8,9-octahydro- 1<i>H</i>-xanthene-1,8-dione |
| Formula |
C39 H45 N O6 |
| Calculated formula |
C39 H45 N O6 |
| SMILES |
O1C2=C(C(c3nc(ccc3)C3C4=C(OC5=C3C(=O)CC(C5)(C)C)CC(CC4=O)(C)C)C3=C1CC(CC3=O)(C)C)C(=O)CC(C2)(C)C |
| Title of publication |
3,3,6,6-Tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthen-9-yl)pyridin-2-yl]-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthene-1,8-dione |
| Authors of publication |
Abdelhamid, Antar A.; Mohamed, Shaaban Kamel; Allahverdiyev, Mirze A.; Gurbanov, Atash V.; Ng, Seik Weng |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2011 |
| Journal volume |
67 |
| Journal issue |
4 |
| Pages of publication |
o785 |
| a |
24.1384 ± 0.0008 Å |
| b |
10.0371 ± 0.0004 Å |
| c |
14.4408 ± 0.0005 Å |
| α |
90° |
| β |
105.846 ± 0.0007° |
| γ |
90° |
| Cell volume |
3365.8 ± 0.2 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0509 |
| Residual factor for significantly intense reflections |
0.0405 |
| Weighted residual factors for significantly intense reflections |
0.103 |
| Weighted residual factors for all reflections included in the refinement |
0.1109 |
| 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 |
No |
| Has Fobs |
Yes |
