Crystal Structure of Mixture of rac (2S,4S,4aR,6R,6aS,10aS)-6-(3,4,5-trimethoxyphenyl) hexahydro-4H-2,6a-methano[1,3] dioxino[5,4-c]isobenzofuran-4-yl acetate and of rac (2S,4S,4aR,6R,6aR,10aS)-6-hydroxy-6-(3,4,5-trimethoxyphenyl) hexahydro-4H-2,6a-methano[1,3]dioxino[5,4-c]isobenzofuran-4-yl acetate hydrate 0.81:0.19
| Id | 1507198 |
| Chemical name | mixture of rac (2S,4S,4aR,6R,6aS,10aS)-6-(3,4,5-trimethoxyphenyl) hexahydro-4H-2,6a-methano[1,3] dioxino[5,4-c]isobenzofuran-4-yl acetate and of rac (2S,4S,4aR,6R,6aR,10aS)-6-hydroxy-6-(3,4,5-trimethoxyphenyl) hexahydro-4H-2,6a-methano[1,3]dioxino[5,4-c]isobenzofuran-4-yl acetate hydrate 0.81:0.19 |
| a (Å) | 10.611(3) |
| b (Å) | 8.440(2) |
| c (Å) | 23.181(5) |
| α (°) | 90.00 |
| β (°) | 94.281(8) |
| γ (°) | 90.00 |
| V (Å3) | 2070.2(9) |
| Space group | P 1 21/c 1 |
| Temperature (K) | 293(2) |
| Rint | 0.0447 |
Publication: Organic letters (2012) 14, 6 1628-1631