| Chemical name |
9-[4-(1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxoacridin- 9-yl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine- 1,8-dione dihydrate |
| Formula |
C40 H52 N2 O6 |
| Calculated formula |
C40 H52 N2 O6 |
| SMILES |
O=C1CC(C)(C)CC2=C1[C@H](c1ccc(cc1)[C@@H]1C3=C(NC4=C1C(=O)CC(C4)(C)C)CC(CC3=O)(C)C)C1=C(N2)CC(CC1=O)(C)C.O.O |
| Title of publication |
9-[4-(1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxoacridin-9-yl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine-1,8-dione dihydrate |
| Authors of publication |
Chang-Sheng Yao; Chen-Xia Yu; Shu-Jiang Tu; Da-Qing Shi; Xiang-Shan Wang |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2004 |
| Journal volume |
60 |
| Journal issue |
11 |
| Pages of publication |
o2022 - o2024 |
| a |
16.334 ± 0.002 Å |
| b |
16.334 ± 0.002 Å |
| c |
13.975 ± 0.002 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
3728.5 ± 0.8 Å3 |
| Cell temperature |
294 ± 2 K |
| Ambient diffraction temperature |
294 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
86 |
| Hermann-Mauguin space group symbol |
P 42/n :2 |
| Hall space group symbol |
-P 4bc |
| Residual factor for all reflections |
0.1334 |
| Residual factor for significantly intense reflections |
0.0591 |
| Weighted residual factors for significantly intense reflections |
0.1372 |
| Weighted residual factors for all reflections included in the refinement |
0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.809 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
